6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

C8H8BrN3O — CID 22139127

IUPAC6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C8H8BrN3O/c1-12-4-5-2-6(9)3-10-7(5)11-8(12)13/h2-3H,4H2,1H3,(H,10,11,13)
InChIKeyLKGLQDPPKNOVEO-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.82
Rot. Bonds

About 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 22139127) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID22139127
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C8H8BrN3O/c1-12-4-5-2-6(9)3-10-7(5)11-8(12)13/h2-3H,4H2,1H3,(H,10,11,13)
InChIKeyLKGLQDPPKNOVEO-UHFFFAOYSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-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 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 22139127) is 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is CN1Cc2cc(Br)cnc2NC1=O.
What is the InChIKey of 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is LKGLQDPPKNOVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-12-4-5-2-6(9)3-10-7(5)11-8(12)13/h2-3H,4H2,1H3,(H,10,11,13).
What are the key properties of 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 242.08 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 22139127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).