AH83724
869198-95-8 | tert-Butyl 2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH83724
ChemicalName
tert-Butyl 2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CasNumber
869198-95-8
MolecularFormula
C12H18N4O2
MolecularWeight
250.2969
MdlNumber
MFCD08447402
Smiles
O=C(N1CCc2c(C1)cnc(n2)N)OC(C)(C)C
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AH83724
ChemicalName: tert-Butyl 2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CasNumber: 869198-95-8
MolecularFormula: C12H18N4O2
MolecularWeight: 250.2969
MdlNumber: MFCD08447402
Smiles: O=C(N1CCc2c(C1)cnc(n2)N)OC(C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AH83724
ChemicalName:
tert-Butyl 2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CasNumber:
869198-95-8
MolecularFormula:
C12H18N4O2
MolecularWeight:
250.2969
MdlNumber:
MFCD08447402
Smiles:
O=C(N1CCc2c(C1)cnc(n2)N)OC(C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: AH83725
ChemicalName: 1,2,4-Butanetricarboxylic acid
CasNumber: 923-42-2
MolecularFormula: C7H10O6
MolecularWeight: 190.1507
MdlNumber: MFCD00152304
Smiles: OC(=O)CCC(C(=O)O)CC(=O)O
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: -0.9
CatalogNumber:
AH83725
ChemicalName:
1,2,4-Butanetricarboxylic acid
CasNumber:
923-42-2
MolecularFormula:
C7H10O6
MolecularWeight:
190.1507
MdlNumber:
MFCD00152304
Smiles:
OC(=O)CCC(C(=O)O)CC(=O)O
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
-0.9
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Smiles: ClC1CCC=CC1
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ClC1CCC=CC1
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Smiles: C1=CC=C(C=C1)S(=O)(=O)N(Br)Br
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C1=CC=C(C=C1)S(=O)(=O)N(Br)Br
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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