3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C8H11N3O — CID 75480674

IUPAC3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C8H11N3O/c1-11-5-10-7-4-9-3-2-6(7)8(11)12/h5,9H,2-4H2,1H3
InChIKeyLYWYQTFDWYZQHK-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.57
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 75480674) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID75480674
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C8H11N3O/c1-11-5-10-7-4-9-3-2-6(7)8(11)12/h5,9H,2-4H2,1H3
InChIKeyLYWYQTFDWYZQHK-UHFFFAOYSA-N
XLogP-0.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 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-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 75480674) is 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LYWYQTFDWYZQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-5-10-7-4-9-3-2-6(7)8(11)12/h5,9H,2-4H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 75480674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).