AD55777
13627-49-1 | 2-Methylpyrimidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD55777
ChemicalName
2-Methylpyrimidine-4-carboxylic acid
CasNumber
13627-49-1
MolecularFormula
C6H6N2O2
MolecularWeight
138.124
MdlNumber
MFCD09834807
Smiles
Cc1nccc(n1)C(=O)O
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AD55777
ChemicalName: 2-Methylpyrimidine-4-carboxylic acid
CasNumber: 13627-49-1
MolecularFormula: C6H6N2O2
MolecularWeight: 138.124
MdlNumber: MFCD09834807
Smiles: Cc1nccc(n1)C(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AD55777
ChemicalName:
2-Methylpyrimidine-4-carboxylic acid
CasNumber:
13627-49-1
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.124
MdlNumber:
MFCD09834807
Smiles:
Cc1nccc(n1)C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C=CC(=O)O.CCC(C(C(=O)N1CSCC1)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C=CC(=O)O.CCC(C(C(=O)N1CSCC1)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Cc2c(N1Cc1ccccc1)nccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Cc2c(N1Cc1ccccc1)nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD55790
ChemicalName: 5,6,7,8-Tetrahydro-1,7-naphthyridine
CasNumber: 13623-85-3
MolecularFormula: C8H10N2
MolecularWeight: 134.1784
MdlNumber: MFCD08752597
Smiles: C1NCc2c(C1)cccn2
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
AD55790
ChemicalName:
5,6,7,8-Tetrahydro-1,7-naphthyridine
CasNumber:
13623-85-3
MolecularFormula:
C8H10N2
MolecularWeight:
134.1784
MdlNumber:
MFCD08752597
Smiles:
C1NCc2c(C1)cccn2
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.3