5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C21H17N3O4 — CID 164519518

IUPAC5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C21H17N3O4/c1-13-17(25)16-18(22(2)19(13)26)23(14-9-5-3-6-10-14)21(28)24(20(16)27)15-11-7-4-8-12-15/h3-12,25H,1-2H3
InChIKeyBEEJYBUSKFNNSF-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.85
Rot. Bonds2

About 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 164519518) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID164519518
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C21H17N3O4/c1-13-17(25)16-18(22(2)19(13)26)23(14-9-5-3-6-10-14)21(28)24(20(16)27)15-11-7-4-8-12-15/h3-12,25H,1-2H3
InChIKeyBEEJYBUSKFNNSF-UHFFFAOYSA-N
XLogP1.85
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 164519518) is 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is BEEJYBUSKFNNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-13-17(25)16-18(22(2)19(13)26)23(14-9-5-3-6-10-14)21(28)24(20(16)27)15-11-7-4-8-12-15/h3-12,25H,1-2H3.
What are the key properties of 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 375.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,8-dimethyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 164519518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).