AA00617
1000386-01-5 | 2-Amino-4-oxo-1,5,7,8-tetrahydro-4h-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA00617
ChemicalName
2-Amino-4-oxo-1,5,7,8-tetrahydro-4h-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
CasNumber
1000386-01-5
MolecularFormula
C12H18N4O3
MolecularWeight
266.2963199999999
MdlNumber
MFCD09999172
Smiles
O=C(N1CCc2c(C1)c(=O)nc([nH]2)N)OC(C)(C)C
Complexity
488
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.6
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CatalogNumber: AA00617
ChemicalName: 2-Amino-4-oxo-1,5,7,8-tetrahydro-4h-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
CasNumber: 1000386-01-5
MolecularFormula: C12H18N4O3
MolecularWeight: 266.2963199999999
MdlNumber: MFCD09999172
Smiles: O=C(N1CCc2c(C1)c(=O)nc([nH]2)N)OC(C)(C)C
Complexity: 488
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AA00617
ChemicalName:
2-Amino-4-oxo-1,5,7,8-tetrahydro-4h-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
CasNumber:
1000386-01-5
MolecularFormula:
C12H18N4O3
MolecularWeight:
266.2963199999999
MdlNumber:
MFCD09999172
Smiles:
O=C(N1CCc2c(C1)c(=O)nc([nH]2)N)OC(C)(C)C
Complexity:
488
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.6
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Smiles: COC(=O)c1cc2[nH]ncc2cc1N
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Smiles:
COC(=O)c1cc2[nH]ncc2cc1N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(N1CC[C@H](C1)Nc1ccccc1N)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1CC[C@H](C1)Nc1ccccc1N)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC[C@H](C1)Nc1ccccc1[N+](=O)[O-])OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC[C@H](C1)Nc1ccccc1[N+](=O)[O-])OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__