5,6-dichloro-3-cyclohexylpyrimidin-4-one

C10H12Cl2N2O — CID 114582906

IUPAC5,6-dichloro-3-cyclohexylpyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C1CCCCC1
InChIInChI=1S/C10H12Cl2N2O/c11-8-9(12)13-6-14(10(8)15)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyJKPXEFHYRXWJGA-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.06
Rot. Bonds1

About 5,6-dichloro-3-cyclohexylpyrimidin-4-one

5,6-dichloro-3-cyclohexylpyrimidin-4-one (PubChem CID 114582906) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 5,6-dichloro-3-cyclohexylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-cyclohexylpyrimidin-4-one
PubChem CID114582906
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name5,6-dichloro-3-cyclohexylpyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C1CCCCC1
InChIInChI=1S/C10H12Cl2N2O/c11-8-9(12)13-6-14(10(8)15)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyJKPXEFHYRXWJGA-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
5,6-Dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913295
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604326
5,6-Dichloro-3-decylpyrimidin-4-one
CID 113604356
6-Chloro-3-cyclohexylpyrimidin-4-one
CID 114582037
5-Amino-6-chloro-3-cyclohexylpyrimidin-4-one
CID 114582476
5,6-Dichloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582899
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-octylpyrimidin-4-one
CID 114582901
5-(4,5-Dichloro-6-oxopyrimidin-1-yl)pentanenitrile
CID 114582917
5,6-Dichloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582942
5,6-Dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582977

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-cyclohexylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-cyclohexylpyrimidin-4-one (CID 114582906) is 5,6-dichloro-3-cyclohexylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-cyclohexylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-cyclohexylpyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1C1CCCCC1.
What is the InChIKey of 5,6-dichloro-3-cyclohexylpyrimidin-4-one?
The InChIKey is JKPXEFHYRXWJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c11-8-9(12)13-6-14(10(8)15)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 5,6-dichloro-3-cyclohexylpyrimidin-4-one?
5,6-dichloro-3-cyclohexylpyrimidin-4-one has a molecular weight of 247.12 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-cyclohexylpyrimidin-4-one is sourced from PubChem (CID 114582906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).