2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C15H14FN5O — CID 69296204

IUPAC2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)c(N)cc1-c1cc2cnc(N)nc2n(C)c1=O
InChIInChI=1S/C15H14FN5O/c1-7-3-11(16)12(17)5-9(7)10-4-8-6-19-15(18)20-13(8)21(2)14(10)22/h3-6H,17H2,1-2H3,(H2,18,19,20)
InChIKeyHIWQDOLNPHHPLJ-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.61
Rot. Bonds1

About 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 69296204) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID69296204
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)c(N)cc1-c1cc2cnc(N)nc2n(C)c1=O
InChIInChI=1S/C15H14FN5O/c1-7-3-11(16)12(17)5-9(7)10-4-8-6-19-15(18)20-13(8)21(2)14(10)22/h3-6H,17H2,1-2H3,(H2,18,19,20)
InChIKeyHIWQDOLNPHHPLJ-UHFFFAOYSA-N
XLogP1.61
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 69296204) is 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)c(N)cc1-c1cc2cnc(N)nc2n(C)c1=O.
What is the InChIKey of 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HIWQDOLNPHHPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-7-3-11(16)12(17)5-9(7)10-4-8-6-19-15(18)20-13(8)21(2)14(10)22/h3-6H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 299.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 69296204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).