4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one

C13H10N4O — CID 68561547

IUPAC4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one
SMILESNc1ncnc2c1c(=O)ccn2-c1ccccc1
InChIInChI=1S/C13H10N4O/c14-12-11-10(18)6-7-17(13(11)16-8-15-12)9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)
InChIKeyJYARKXVYMJJYHZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.36
Rot. Bonds1

About 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one

4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one (PubChem CID 68561547) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one
PubChem CID68561547
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one
SMILESNc1ncnc2c1c(=O)ccn2-c1ccccc1
InChIInChI=1S/C13H10N4O/c14-12-11-10(18)6-7-17(13(11)16-8-15-12)9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)
InChIKeyJYARKXVYMJJYHZ-UHFFFAOYSA-N
XLogP1.36
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one
CID 143128155
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea
CID 11406634
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11339648
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11487494
4-amino-8-ethylpyrido[2,3-d]pyrimidin-5-one
CID 163553264
N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide
CID 11676077
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2,4-difluorophenyl)urea
CID 11395695
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)urea
CID 11385235
N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 11569537
4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
CID 101367074
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
7-[4-amino-7-(3,3-dimethylcyclobutyl)pyrrolo[2,3-d]pyrimidin-5-yl]-8-fluoro-2-phenylisoquinolin-1-one
CID 178177000

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one (CID 68561547) is 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one is Nc1ncnc2c1c(=O)ccn2-c1ccccc1.
What is the InChIKey of 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one?
The InChIKey is JYARKXVYMJJYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-12-11-10(18)6-7-17(13(11)16-8-15-12)9-4-2-1-3-5-9/h1-8H,(H2,14,15,16).
What are the key properties of 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one?
4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one has a molecular weight of 238.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 68561547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).