AH84311
916603-07-1 | N2-(4-(Aminomethyl)phenyl)-5-fluoro-n4-phenylpyrimidine-2,4-diamine
Manufacturer: A2B Chem
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CatalogNumber
AH84311
ChemicalName
N2-(4-(Aminomethyl)phenyl)-5-fluoro-n4-phenylpyrimidine-2,4-diamine
CasNumber
916603-07-1
MolecularFormula
C17H16FN5
MolecularWeight
309.3408
MdlNumber
MFCD16251195
Smiles
NCc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1)F
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AH84311
ChemicalName: N2-(4-(Aminomethyl)phenyl)-5-fluoro-n4-phenylpyrimidine-2,4-diamine
CasNumber: 916603-07-1
MolecularFormula: C17H16FN5
MolecularWeight: 309.3408
MdlNumber: MFCD16251195
Smiles: NCc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1)F
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AH84311
ChemicalName:
N2-(4-(Aminomethyl)phenyl)-5-fluoro-n4-phenylpyrimidine-2,4-diamine
CasNumber:
916603-07-1
MolecularFormula:
C17H16FN5
MolecularWeight:
309.3408
MdlNumber:
MFCD16251195
Smiles:
NCc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1)F
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
2.9
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Smiles: COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C
Complexity: __
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Smiles:
COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C
Complexity:
__
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RotatableBondCount:
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Smiles: O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1C[C@H](C)O[C@@H](C1)C
Complexity: __
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Smiles:
O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1C[C@H](C)O[C@@H](C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: COc1cccc(c1)C1(CCCCC1)N1CCCCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)C1(CCCCC1)N1CCCCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__