AE20229
1133115-66-8 | Methyl 2-amino-4-(4-bromophenyl)pyrimidine-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE20229
ChemicalName
Methyl 2-amino-4-(4-bromophenyl)pyrimidine-5-carboxylate
CasNumber
1133115-66-8
MolecularFormula
C12H10BrN3O2
MolecularWeight
308.1307
MdlNumber
MFCD11855881
Smiles
COC(=O)c1cnc(nc1c1ccc(cc1)Br)N
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AE20229
ChemicalName: Methyl 2-amino-4-(4-bromophenyl)pyrimidine-5-carboxylate
CasNumber: 1133115-66-8
MolecularFormula: C12H10BrN3O2
MolecularWeight: 308.1307
MdlNumber: MFCD11855881
Smiles: COC(=O)c1cnc(nc1c1ccc(cc1)Br)N
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AE20229
ChemicalName:
Methyl 2-amino-4-(4-bromophenyl)pyrimidine-5-carboxylate
CasNumber:
1133115-66-8
MolecularFormula:
C12H10BrN3O2
MolecularWeight:
308.1307
MdlNumber:
MFCD11855881
Smiles:
COC(=O)c1cnc(nc1c1ccc(cc1)Br)N
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cccc(c1)CN1CCCCC1)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cccc(c1)CN1CCCCC1)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ncn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ncn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)c1cccc(c1)C(=O)O)C
Complexity: 274
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)c1cccc(c1)C(=O)O)C
Complexity:
274
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8