3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione

C15H13N3O2 — CID 11357628

IUPAC3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C15H13N3O2/c19-14-13-12(7-4-9-16-13)17-15(20)18(14)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,17,20)
InChIKeyLSYPPHGRTYKWOC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.33
Rot. Bonds3

About 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione

3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 11357628) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID11357628
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C15H13N3O2/c19-14-13-12(7-4-9-16-13)17-15(20)18(14)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,17,20)
InChIKeyLSYPPHGRTYKWOC-UHFFFAOYSA-N
XLogP1.33
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)quinoline-3-carboxamide
CID 44138050
2-mercapto-3-pyridin-3-ylquinazolin-4(3H)-one
CID 2725832
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 710792
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
(3S)-1-(2-cyclopropylethyl)-N-[5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluoro-3-pyridinyl]pyrrolidine-3-carboxamide
CID 137632887
2-Mercapto-6-methyl-3-(3-pyridyl)-3,4-dihydroquinazolin-4-one
CID 2725833
3-[(4-Methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 4235151
2-(6-methyl-2-pyridyl)-3-phenethyl-2,3-dihydro-4(1H)-quinazolinone
CID 2921773
3-hydroxy-2-quinoxalin-2-yl-2,3-dihydroquinazolin-4(1H)-one
CID 3244715
2-N,5-N-diphenylpyridine-2,5-dicarboxamide
CID 746699
N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide
CID 1277315
N-quinolin-3-ylpyridine-3-carboxamide
CID 5043098

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 11357628) is 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2cccnc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is LSYPPHGRTYKWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14-13-12(7-4-9-16-13)17-15(20)18(14)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,17,20).
What are the key properties of 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11357628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).