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

C16H15N3O4 — CID 54696224

IUPAC6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(Cc3ccccc3)c(=O)[nH]c2n(C)c1=O
InChIInChI=1S/C16H15N3O4/c1-18-13-11(15(22)19(2)16(18)23)12(20)10(14(21)17-13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,17,20,21)
InChIKeyYXRFQBNSGRSULK-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.22
Rot. Bonds2

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

6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 54696224) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID54696224
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(Cc3ccccc3)c(=O)[nH]c2n(C)c1=O
InChIInChI=1S/C16H15N3O4/c1-18-13-11(15(22)19(2)16(18)23)12(20)10(14(21)17-13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,17,20,21)
InChIKeyYXRFQBNSGRSULK-UHFFFAOYSA-N
XLogP0.22
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 54696224) is 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)c(Cc3ccccc3)c(=O)[nH]c2n(C)c1=O.
What is the InChIKey of 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is YXRFQBNSGRSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-18-13-11(15(22)19(2)16(18)23)12(20)10(14(21)17-13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,17,20,21).
What are the key properties of 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 313.31 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 54696224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).