6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one

C15H21ClN2O — CID 114192360

IUPAC6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-10-14(19)18(15(17-13)12-6-7-12)9-8-11-4-2-1-3-5-11/h10-12H,1-9H2
InChIKeyAXSUUVXUUSLSQE-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.74
Rot. Bonds4

About 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one

6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one (PubChem CID 114192360) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one
PubChem CID114192360
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-10-14(19)18(15(17-13)12-6-7-12)9-8-11-4-2-1-3-5-11/h10-12H,1-9H2
InChIKeyAXSUUVXUUSLSQE-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-[(3,3-difluorocyclohexyl)methyl]-2-methylpyrimidin-4-one
CID 114224996
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
2-Cyclohexyl-6-hydroxy-3-pentylpyrimidin-4-one
CID 136364428
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
CID 142822927
6-Chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913298
6-Chloro-2-ethyl-3-octylpyrimidin-4-one
CID 113604480
6-Chloro-2-ethyl-3-(2-ethylhexyl)pyrimidin-4-one
CID 113604509
3-(2-Bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-cyclopropylpyrimidin-4-one
CID 113604574
6-Chloro-3-(cyclohexylmethyl)-2-cyclopropylpyrimidin-4-one
CID 113604577
6-Chloro-3-octyl-2-propan-2-ylpyrimidin-4-one
CID 113604590
6-Chloro-3-heptyl-2-propan-2-ylpyrimidin-4-one
CID 113604609
6-Chloro-3-(cyclohexylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 113604628

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one (CID 114192360) is 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCC1CCCCC1.
What is the InChIKey of 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one?
The InChIKey is AXSUUVXUUSLSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-10-14(19)18(15(17-13)12-6-7-12)9-8-11-4-2-1-3-5-11/h10-12H,1-9H2.
What are the key properties of 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one?
6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one has a molecular weight of 280.80 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 114192360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).