2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one

C16H16ClFN6O — CID 11703274

IUPAC2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCC(N)c1c(N)nc2nc(N)n(C)c(=O)c2c1-c1cc(F)ccc1Cl
InChIInChI=1S/C16H16ClFN6O/c1-6(19)10-11(8-5-7(18)3-4-9(8)17)12-14(22-13(10)20)23-16(21)24(2)15(12)25/h3-6H,19H2,1-2H3,(H4,20,21,22,23)
InChIKeyGHNOPDKEEAXOFX-UHFFFAOYSA-N
MW362.80 g/mol
LogP1.97
Rot. Bonds2

About 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one

2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 11703274) has the molecular formula C16H16ClFN6O and a molecular weight of 362.80 g/mol. Its IUPAC name is 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID11703274
Molecular FormulaC16H16ClFN6O
Molecular Weight362.80 g/mol
Exact Mass362.11
IUPAC Name2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCC(N)c1c(N)nc2nc(N)n(C)c(=O)c2c1-c1cc(F)ccc1Cl
InChIInChI=1S/C16H16ClFN6O/c1-6(19)10-11(8-5-7(18)3-4-9(8)17)12-14(22-13(10)20)23-16(21)24(2)15(12)25/h3-6H,19H2,1-2H3,(H4,20,21,22,23)
InChIKeyGHNOPDKEEAXOFX-UHFFFAOYSA-N
XLogP1.97
TPSA125.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

7-chloro-N-[3-(cyclopentylamino)-3-oxo-1-phenylpropyl]-6-fluoro-4-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxamide
CID 44140339
7-Amino-6-(aminomethyl)-5-(2-chloro-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11516085
7-Amino-6-(aminomethyl)-5-(2,3-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11531002
7-Amino-6-(aminomethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11581694
7-Amino-6-(aminomethyl)-5-(2-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11595401
7-amino-6-aminomethyl-5-(2,5-dichloro-phenyl)-1,3-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 11632315
1,8-Naphthyridin-2(1H)-one deriv. 9e
CID 5328727
7-chloro-N-cyclohexyl-1-[(2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086901
7-chloro-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086907
N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
CID 137169029
N-[5-[(2-acetamidoethylamino)methyl]-6-fluoro-2-pyridinyl]-2-chloro-3-phenylbenzamide
CID 166628026
7-Amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11508177

Frequently Asked Questions

What is the IUPAC name of 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one (CID 11703274) is 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one is CC(N)c1c(N)nc2nc(N)n(C)c(=O)c2c1-c1cc(F)ccc1Cl.
What is the InChIKey of 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is GHNOPDKEEAXOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN6O/c1-6(19)10-11(8-5-7(18)3-4-9(8)17)12-14(22-13(10)20)23-16(21)24(2)15(12)25/h3-6H,19H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 362.80 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11703274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).