(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone

C13H18N2O — CID 64774792

IUPAC(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone
SMILESCCC1CCC(C(=O)c2ncccn2)CC1
InChIInChI=1S/C13H18N2O/c1-2-10-4-6-11(7-5-10)12(16)13-14-8-3-9-15-13/h3,8-11H,2,4-7H2,1H3
InChIKeyBPIJYZGSKVGXIY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds3

About (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone

(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone (PubChem CID 64774792) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone
PubChem CID64774792
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone
SMILESCCC1CCC(C(=O)c2ncccn2)CC1
InChIInChI=1S/C13H18N2O/c1-2-10-4-6-11(7-5-10)12(16)13-14-8-3-9-15-13/h3,8-11H,2,4-7H2,1H3
InChIKeyBPIJYZGSKVGXIY-UHFFFAOYSA-N
XLogP2.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone
CID 130789671
4-ethyl-2-(pyrimidine-2-carbonyl)cyclohexan-1-one
CID 114552728
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
CID 107501563

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone?
The IUPAC name of (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone (CID 64774792) is (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone is CCC1CCC(C(=O)c2ncccn2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone?
The InChIKey is BPIJYZGSKVGXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-4-6-11(7-5-10)12(16)13-14-8-3-9-15-13/h3,8-11H,2,4-7H2,1H3.
What are the key properties of (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone?
(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone has a molecular weight of 218.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 64774792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).