1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone

C9H9ClN2O — CID 159147745

IUPAC1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone
SMILESO=C(CC1CC1)c1ccnc(Cl)n1
InChIInChI=1S/C9H9ClN2O/c10-9-11-4-3-7(12-9)8(13)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyABKOUCHYZUYUTO-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.11
Rot. Bonds3

About 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone

1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone (PubChem CID 159147745) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone
PubChem CID159147745
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone
SMILESO=C(CC1CC1)c1ccnc(Cl)n1
InChIInChI=1S/C9H9ClN2O/c10-9-11-4-3-7(12-9)8(13)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyABKOUCHYZUYUTO-UHFFFAOYSA-N
XLogP2.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529765
(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 154746917
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
2-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 62341695
1-[4-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]phenyl]-2-cyclopropylethanone
CID 147070623
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate
CID 154776228
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
CID 71649628
1-(2-aminopyrimidin-4-yl)-2-chloroethanone
CID 141454740

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone (CID 159147745) is 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone is O=C(CC1CC1)c1ccnc(Cl)n1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone?
The InChIKey is ABKOUCHYZUYUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-9-11-4-3-7(12-9)8(13)5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone?
1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone has a molecular weight of 196.64 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-2-cyclopropylethanone is sourced from PubChem (CID 159147745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).