AI05281
1015856-38-8 | 4-(Isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI05281
ChemicalName
4-(Isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
CasNumber
1015856-38-8
MolecularFormula
C10H15N3O2S
MolecularWeight
241.31
MdlNumber
MFCD09998272
Smiles
CSc1ncc(c(=NCC(C)C)[nH]1)C(=O)O
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.8
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CatalogNumber: AI05281
ChemicalName: 4-(Isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
CasNumber: 1015856-38-8
MolecularFormula: C10H15N3O2S
MolecularWeight: 241.31
MdlNumber: MFCD09998272
Smiles: CSc1ncc(c(=NCC(C)C)[nH]1)C(=O)O
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.8
CatalogNumber:
AI05281
ChemicalName:
4-(Isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
CasNumber:
1015856-38-8
MolecularFormula:
C10H15N3O2S
MolecularWeight:
241.31
MdlNumber:
MFCD09998272
Smiles:
CSc1ncc(c(=NCC(C)C)[nH]1)C(=O)O
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.8
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Smiles: O=C(c1cc(nc2c1cccc2)C(Br)Br)OC(C)(C)C
Complexity: __
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Smiles:
O=C(c1cc(nc2c1cccc2)C(Br)Br)OC(C)(C)C
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Smiles: CN1CCN(CC1)Cc1cccc2c1cccc2
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Smiles:
CN1CCN(CC1)Cc1cccc2c1cccc2
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Smiles: O=Cc1cn[nH]c1c1ccc2c(c1)CCCC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1cn[nH]c1c1ccc2c(c1)CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__