6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one

C16H15FN4O2 — CID 139235468

IUPAC6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1ccccc1F
InChIInChI=1S/C16H15FN4O2/c1-7-11(8(2)22)12(9-5-3-4-6-10(9)17)13-14(19-7)20-16(18)21-15(13)23/h3-6,12H,1-2H3,(H4,18,19,20,21,23)
InChIKeyRLQLCGLZBWLQBE-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.91
Rot. Bonds2

About 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one

6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 139235468) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID139235468
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1ccccc1F
InChIInChI=1S/C16H15FN4O2/c1-7-11(8(2)22)12(9-5-3-4-6-10(9)17)13-14(19-7)20-16(18)21-15(13)23/h3-6,12H,1-2H3,(H4,18,19,20,21,23)
InChIKeyRLQLCGLZBWLQBE-UHFFFAOYSA-N
XLogP1.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 139235468) is 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1ccccc1F.
What is the InChIKey of 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is RLQLCGLZBWLQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-7-11(8(2)22)12(9-5-3-4-6-10(9)17)13-14(19-7)20-16(18)21-15(13)23/h3-6,12H,1-2H3,(H4,18,19,20,21,23).
What are the key properties of 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 314.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-amino-5-(2-fluorophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139235468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).