3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

C13H9N3O2 — CID 12628639

IUPAC3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)n1-c1ccccc1
InChIInChI=1S/C13H9N3O2/c17-12-11-10(7-4-8-14-11)15-13(18)16(12)9-5-2-1-3-6-9/h1-8H,(H,15,18)
InChIKeyWSRVJAYJTCPSBG-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.07
Rot. Bonds1

About 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 12628639) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID12628639
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)n1-c1ccccc1
InChIInChI=1S/C13H9N3O2/c17-12-11-10(7-4-8-14-11)15-13(18)16(12)9-5-2-1-3-6-9/h1-8H,(H,15,18)
InChIKeyWSRVJAYJTCPSBG-UHFFFAOYSA-N
XLogP1.07
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
2-mercapto-3-pyridin-3-ylquinazolin-4(3H)-one
CID 2725832
Diquat metabolite
CID 86209565
N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 2408490
N-[4-(4-phenylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 11537385
1-Cyclohexyl-3-(1-picolinoylpiperidin-4-yl)urea
CID 25070137
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 68161275
3-[(Pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
CID 866366
1H,2H,3H,4H-pyrido(3,4-d)pyrimidine-2,4-dione
CID 278397
N-[6-(butanoylamino)pyridin-3-yl]pyridine-2-carboxamide
CID 645135
N-[6-(propanoylamino)pyridin-3-yl]pyridine-2-carboxamide
CID 655604
4-(2-Pyridylcarbonyl)-1,3,4-trihydroquinoxalin-2-one
CID 2316008

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 12628639) is 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2cccnc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is WSRVJAYJTCPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-12-11-10(7-4-8-14-11)15-13(18)16(12)9-5-2-1-3-6-9/h1-8H,(H,15,18).
What are the key properties of 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 239.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12628639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).