2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone

C10H11ClN2O2 — CID 80752676

IUPAC2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone
SMILESCOc1ncc(Cl)c(CC(=O)C2CC2)n1
InChIInChI=1S/C10H11ClN2O2/c1-15-10-12-5-7(11)8(13-10)4-9(14)6-2-3-6/h5-6H,2-4H2,1H3
InChIKeyGJBKDHSJRWMTIG-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.66
Rot. Bonds4

About 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone

2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone (PubChem CID 80752676) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone
PubChem CID80752676
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone
SMILESCOc1ncc(Cl)c(CC(=O)C2CC2)n1
InChIInChI=1S/C10H11ClN2O2/c1-15-10-12-5-7(11)8(13-10)4-9(14)6-2-3-6/h5-6H,2-4H2,1H3
InChIKeyGJBKDHSJRWMTIG-UHFFFAOYSA-N
XLogP1.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone?
The IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone (CID 80752676) is 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone?
The canonical SMILES for 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone is COc1ncc(Cl)c(CC(=O)C2CC2)n1.
What is the InChIKey of 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone?
The InChIKey is GJBKDHSJRWMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-15-10-12-5-7(11)8(13-10)4-9(14)6-2-3-6/h5-6H,2-4H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone?
2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone has a molecular weight of 226.66 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone is sourced from PubChem (CID 80752676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).