1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione

C11H13N3O2 — CID 146615672

IUPAC1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c2ncccc2n(C)c1=O
InChIInChI=1S/C11H13N3O2/c1-7(2)14-10(15)9-8(5-4-6-12-9)13(3)11(14)16/h4-7H,1-3H3
InChIKeyYQJQXHBWEOYDIY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.68
Rot. Bonds1

About 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione

1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 146615672) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID146615672
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c2ncccc2n(C)c1=O
InChIInChI=1S/C11H13N3O2/c1-7(2)14-10(15)9-8(5-4-6-12-9)13(3)11(14)16/h4-7H,1-3H3
InChIKeyYQJQXHBWEOYDIY-UHFFFAOYSA-N
XLogP0.68
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione 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 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione (CID 146615672) is 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione is CC(C)n1c(=O)c2ncccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YQJQXHBWEOYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)14-10(15)9-8(5-4-6-12-9)13(3)11(14)16/h4-7H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione?
1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146615672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).