5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione

C14H10N2O4 — CID 170460064

IUPAC5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(O)c2c(=O)n(-c3ccccc3)cnc2oc1=O
InChIInChI=1S/C14H10N2O4/c1-8-11(17)10-12(20-14(8)19)15-7-16(13(10)18)9-5-3-2-4-6-9/h2-7,17H,1H3
InChIKeyJSKHUNGGYIEGNZ-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.35
Rot. Bonds1

About 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione

5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 170460064) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID170460064
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(O)c2c(=O)n(-c3ccccc3)cnc2oc1=O
InChIInChI=1S/C14H10N2O4/c1-8-11(17)10-12(20-14(8)19)15-7-16(13(10)18)9-5-3-2-4-6-9/h2-7,17H,1H3
InChIKeyJSKHUNGGYIEGNZ-UHFFFAOYSA-N
XLogP1.35
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Fluorophenyl)-4-methyl-6-oxopyrimidine-5-carboxylic acid
CID 156197362
4-hydroxy-7-isopropyl-6-phenyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 54676575
4-Hydroxy-7,8-dimethyl-6-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 54705955
7-Tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 54707339
1-(3-Fluorophenyl)-4-methyl-6-oxopyrimidine-5-carboxylic acid
CID 172412632
1-(2-Fluorophenyl)-4-methyl-6-oxopyrimidine-5-carboxylic acid
CID 172412633
1,6-Dihydro-4-methyl-6-oxo-1-(4-tolyl)pyrimidine-5-carboxylic acid
CID 21325490
2,4-Dimethyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid
CID 21325503
4-Methoxy-2-oxo-1-phenyl-1,2-dihydropyridin-3-carboxylic acid
CID 89994910
6-Oxo-1-phenylpyrimidine-5-carboxylic acid
CID 154446438
2-(3-Cyanoprop-2-enoxy)-4-methyl-6-oxo-1-phenylpyrimidine-5-carboxylic acid
CID 175062594
4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide
CID 54690810

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione (CID 170460064) is 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione is Cc1c(O)c2c(=O)n(-c3ccccc3)cnc2oc1=O.
What is the InChIKey of 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is JSKHUNGGYIEGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-8-11(17)10-12(20-14(8)19)15-7-16(13(10)18)9-5-3-2-4-6-9/h2-7,17H,1H3.
What are the key properties of 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione?
5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 270.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-3-phenylpyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 170460064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).