AB73795
76360-82-2 | Ethyl 4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB73795
ChemicalName
Ethyl 4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
CasNumber
76360-82-2
MolecularFormula
C9H13N3O2S
MolecularWeight
227.2834
MdlNumber
MFCD00476788
Smiles
CCOC(=O)c1cnc(nc1NC)SC
NscNumber
165300
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.1
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CatalogNumber: AB73795
ChemicalName: Ethyl 4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
CasNumber: 76360-82-2
MolecularFormula: C9H13N3O2S
MolecularWeight: 227.2834
MdlNumber: MFCD00476788
Smiles: CCOC(=O)c1cnc(nc1NC)SC
NscNumber: 165300
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AB73795
ChemicalName:
Ethyl 4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
CasNumber:
76360-82-2
MolecularFormula:
C9H13N3O2S
MolecularWeight:
227.2834
MdlNumber:
MFCD00476788
Smiles:
CCOC(=O)c1cnc(nc1NC)SC
NscNumber:
165300
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: AB73796
ChemicalName: ethyl 4-(methylamino)piperidine-1-carboxylate
CasNumber: 73733-69-4
MolecularFormula: C9H18N2O2
MolecularWeight: 186.2514
MdlNumber: MFCD07781124
Smiles: CCOC(=O)N1CCC(CC1)NC
NscNumber: __
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AB73796
ChemicalName:
ethyl 4-(methylamino)piperidine-1-carboxylate
CasNumber:
73733-69-4
MolecularFormula:
C9H18N2O2
MolecularWeight:
186.2514
MdlNumber:
MFCD07781124
Smiles:
CCOC(=O)N1CCC(CC1)NC
NscNumber:
__
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: AB73797
ChemicalName: 4-(Piperazin-1-yl)-benzoic acid ethyl ester
CasNumber: 80518-57-6
MolecularFormula: C13H18N2O2
MolecularWeight: 234.29422000000008
MdlNumber: MFCD04973340
Smiles: CCOC(=O)c1ccc(cc1)N1CCNCC1
NscNumber: __
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB73797
ChemicalName:
4-(Piperazin-1-yl)-benzoic acid ethyl ester
CasNumber:
80518-57-6
MolecularFormula:
C13H18N2O2
MolecularWeight:
234.29422000000008
MdlNumber:
MFCD04973340
Smiles:
CCOC(=O)c1ccc(cc1)N1CCNCC1
NscNumber:
__
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: AB73798
ChemicalName: Ethyl 4-(trifluoromethyl)benzoate
CasNumber: 583-02-8
MolecularFormula: C10H9F3O2
MolecularWeight: 218.1725
MdlNumber: MFCD00013563
Smiles: CCOC(=O)c1ccc(cc1)C(F)(F)F
NscNumber: __
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AB73798
ChemicalName:
Ethyl 4-(trifluoromethyl)benzoate
CasNumber:
583-02-8
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.1725
MdlNumber:
MFCD00013563
Smiles:
CCOC(=O)c1ccc(cc1)C(F)(F)F
NscNumber:
__
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.5