5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

C8H8ClN3O — CID 70497178

IUPAC5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2c(Cl)ccnc2NC1=O
InChIInChI=1S/C8H8ClN3O/c1-12-4-5-6(9)2-3-10-7(5)11-8(12)13/h2-3H,4H2,1H3,(H,10,11,13)
InChIKeyTXCMDHRGCFZNKH-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.71
Rot. Bonds

About 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 70497178) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID70497178
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2c(Cl)ccnc2NC1=O
InChIInChI=1S/C8H8ClN3O/c1-12-4-5-6(9)2-3-10-7(5)11-8(12)13/h2-3H,4H2,1H3,(H,10,11,13)
InChIKeyTXCMDHRGCFZNKH-UHFFFAOYSA-N
XLogP1.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-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 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 70497178) is 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is CN1Cc2c(Cl)ccnc2NC1=O.
What is the InChIKey of 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is TXCMDHRGCFZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-12-4-5-6(9)2-3-10-7(5)11-8(12)13/h2-3H,4H2,1H3,(H,10,11,13).
What are the key properties of 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 70497178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).