1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one

C10H15BrN2O — CID 64996304

IUPAC1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(C)CBr)c(=O)n1
InChIInChI=1S/C10H15BrN2O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,5-6H2,1-3H3
InChIKeyHWZHXJWWINEJSN-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.89
Rot. Bonds3

About 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one

1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 64996304) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
PubChem CID64996304
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(C)CBr)c(=O)n1
InChIInChI=1S/C10H15BrN2O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,5-6H2,1-3H3
InChIKeyHWZHXJWWINEJSN-UHFFFAOYSA-N
XLogP1.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-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

Related Compounds

1-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1,2-Dihydro-4,6-dimethyl-1-propyl-pyrimidin-2-one
CID 12795361
1-Butyl-4,6-dimethyl-2-oxopyrimidine
CID 175647238
4,6-Dimethyl-1,3-dipropylpyrimidin-1-ium-2-one
CID 12097245
1-(4-Bromobutyl)-4,6-dimethylpyrimidin-2-one
CID 43165109
1-Methyl-6-propan-2-ylpyrimidin-2-one
CID 144079074
1-(2-Bromoethyl)-4,6-dimethylpyrimidin-2-one
CID 24689049
1-(3-Bromopropyl)-4,6-dimethylpyrimidin-2-one
CID 43135368
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile
CID 43367396
1-(5-Bromopentyl)-4,6-dimethylpyrimidin-2-one
CID 64202738
1-[2-(Bromomethyl)butyl]-4,6-dimethylpyrimidin-2-one
CID 64995176
1-(3-Bromo-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-2-one
CID 64995177

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one (CID 64996304) is 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(C)CBr)c(=O)n1.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is HWZHXJWWINEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,5-6H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 259.15 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 64996304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).