5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one

C9H11BrN2O — CID 66308767

IUPAC5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one
SMILESCc1ncn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C9H11BrN2O/c1-6-8(10)9(13)12(5-11-6)4-7-2-3-7/h5,7H,2-4H2,1H3
InChIKeyULGURVUHMRIMPX-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.72
Rot. Bonds2

About 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one

5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one (PubChem CID 66308767) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one
PubChem CID66308767
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one
SMILESCc1ncn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C9H11BrN2O/c1-6-8(10)9(13)12(5-11-6)4-7-2-3-7/h5,7H,2-4H2,1H3
InChIKeyULGURVUHMRIMPX-UHFFFAOYSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-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 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one (CID 66308767) is 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one is Cc1ncn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one?
The InChIKey is ULGURVUHMRIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-8(10)9(13)12(5-11-6)4-7-2-3-7/h5,7H,2-4H2,1H3.
What are the key properties of 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one?
5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one has a molecular weight of 243.10 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylmethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 66308767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).