8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C16H16BrN3O — CID 10247003

IUPAC8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(Br)cc1)C(=O)CC2
InChIInChI=1S/C16H16BrN3O/c1-10-14-7-8-15(21)20(16(14)19-11(2)18-10)9-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3
InChIKeyRIGIQZIXVFCURM-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.34
Rot. Bonds2

About 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10247003) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10247003
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(Br)cc1)C(=O)CC2
InChIInChI=1S/C16H16BrN3O/c1-10-14-7-8-15(21)20(16(14)19-11(2)18-10)9-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3
InChIKeyRIGIQZIXVFCURM-UHFFFAOYSA-N
XLogP3.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-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 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 10247003) is 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(Cc1ccc(Br)cc1)C(=O)CC2.
What is the InChIKey of 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RIGIQZIXVFCURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-10-14-7-8-15(21)20(16(14)19-11(2)18-10)9-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3.
What are the key properties of 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 346.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10247003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).