3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

C8H7N3O2 — CID 85445047

IUPAC3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1C(=O)N=C2N=CC=CC2C1=O
InChIInChI=1S/C8H7N3O2/c1-11-7(12)5-3-2-4-9-6(5)10-8(11)13/h2-5H,1H3
InChIKeyWOYHRHFQLRMDKG-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.23
Rot. Bonds

About 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 85445047) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID85445047
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1C(=O)N=C2N=CC=CC2C1=O
InChIInChI=1S/C8H7N3O2/c1-11-7(12)5-3-2-4-9-6(5)10-8(11)13/h2-5H,1H3
InChIKeyWOYHRHFQLRMDKG-UHFFFAOYSA-N
XLogP0.23
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4aH-pyrido[2,3-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 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (CID 85445047) is 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is CN1C(=O)N=C2N=CC=CC2C1=O.
What is the InChIKey of 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WOYHRHFQLRMDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-11-7(12)5-3-2-4-9-6(5)10-8(11)13/h2-5H,1H3.
What are the key properties of 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 177.16 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 85445047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).