5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one

C9H11BrF2N2O — CID 165470582

IUPAC5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1cnc(C(F)F)c(Br)c1=O
InChIInChI=1S/C9H11BrF2N2O/c1-5(2)3-14-4-13-7(8(11)12)6(10)9(14)15/h4-5,8H,3H2,1-2H3
InChIKeyREJNLACRDUPBLP-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.60
Rot. Bonds3

About 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one

5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one (PubChem CID 165470582) has the molecular formula C9H11BrF2N2O and a molecular weight of 281.10 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one
PubChem CID165470582
Molecular FormulaC9H11BrF2N2O
Molecular Weight281.10 g/mol
Exact Mass280.00
IUPAC Name5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1cnc(C(F)F)c(Br)c1=O
InChIInChI=1S/C9H11BrF2N2O/c1-5(2)3-14-4-13-7(8(11)12)6(10)9(14)15/h4-5,8H,3H2,1-2H3
InChIKeyREJNLACRDUPBLP-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)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 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one (CID 165470582) is 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one is CC(C)Cn1cnc(C(F)F)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one?
The InChIKey is REJNLACRDUPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O/c1-5(2)3-14-4-13-7(8(11)12)6(10)9(14)15/h4-5,8H,3H2,1-2H3.
What are the key properties of 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one?
5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one has a molecular weight of 281.10 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethyl)-3-(2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 165470582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).