5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one

C9H11BrN2O — CID 166981875

IUPAC5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one
SMILESCC(C1CC1)n1cncc(Br)c1=O
InChIInChI=1S/C9H11BrN2O/c1-6(7-2-3-7)12-5-11-4-8(10)9(12)13/h4-7H,2-3H2,1H3
InChIKeyPKCCYQSDPIHTKP-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.98
Rot. Bonds2

About 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one

5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one (PubChem CID 166981875) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one
PubChem CID166981875
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one
SMILESCC(C1CC1)n1cncc(Br)c1=O
InChIInChI=1S/C9H11BrN2O/c1-6(7-2-3-7)12-5-11-4-8(10)9(12)13/h4-7H,2-3H2,1H3
InChIKeyPKCCYQSDPIHTKP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-(cyclopropylmethyl)pyrimidin-4-one
CID 66308511
5-Bromo-3-(2-methylpropyl)pyrimidin-4-one
CID 66310188
5-Bromo-3-(cyclobutylmethyl)pyrimidin-4-one
CID 66310421
5-Bromo-2-cyclopropyl-3-methylpyrimidin-4-one
CID 84692371
5-Bromo-3-cyclopropylpyrimidin-4(3H)-one
CID 146012625
5-Bromo-3-propan-2-ylpyrimidin-4-one
CID 166981741
5-Bromo-3-(1-methylcyclobutyl)pyrimidin-4-one
CID 166981742
5-Bromo-3-(1-methylcyclopropyl)pyrimidin-4-one
CID 166981743
5-Bromo-3-[(1-methylcyclopropyl)methyl]pyrimidin-4-one
CID 166981747
5-bromo-3-[(2R)-butan-2-yl]pyrimidin-4-one
CID 166981876
5-Bromo-3-cyclobutylpyrimidin-4-one
CID 166981878
5-bromo-3-[(2S)-butan-2-yl]pyrimidin-4-one
CID 170654504

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one (CID 166981875) is 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one is CC(C1CC1)n1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one?
The InChIKey is PKCCYQSDPIHTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(7-2-3-7)12-5-11-4-8(10)9(12)13/h4-7H,2-3H2,1H3.
What are the key properties of 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one?
5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one has a molecular weight of 243.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-cyclopropylethyl)pyrimidin-4-one is sourced from PubChem (CID 166981875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).