1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione

C10H11N3O3 — CID 154253325

IUPAC1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione
SMILESCn1cc2c(=O)n(C)c(=O)n(C)c2cc1=O
InChIInChI=1S/C10H11N3O3/c1-11-5-6-7(4-8(11)14)12(2)10(16)13(3)9(6)15/h4-5H,1-3H3
InChIKeyCKTGVUGAPLNYNZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-1.06
Rot. Bonds

About 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione

1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione (PubChem CID 154253325) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione
PubChem CID154253325
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione
SMILESCn1cc2c(=O)n(C)c(=O)n(C)c2cc1=O
InChIInChI=1S/C10H11N3O3/c1-11-5-6-7(4-8(11)14)12(2)10(16)13(3)9(6)15/h4-5H,1-3H3
InChIKeyCKTGVUGAPLNYNZ-UHFFFAOYSA-N
XLogP-1.06
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3,6-trimethylpyrido[4,3-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 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione (CID 154253325) is 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione is Cn1cc2c(=O)n(C)c(=O)n(C)c2cc1=O.
What is the InChIKey of 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione?
The InChIKey is CKTGVUGAPLNYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-11-5-6-7(4-8(11)14)12(2)10(16)13(3)9(6)15/h4-5H,1-3H3.
What are the key properties of 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione?
1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione has a molecular weight of 221.22 g/mol, XLogP of -1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 154253325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).