2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one

C12H18N2O — CID 65395577

IUPAC2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCC1CCC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C12H18N2O/c1-2-9-3-5-10(6-4-9)12-13-8-7-11(15)14-12/h7-10H,2-6H2,1H3,(H,13,14,15)
InChIKeyBDELKNJQPYFWMQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.45
Rot. Bonds2

About 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one

2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 65395577) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID65395577
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCC1CCC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C12H18N2O/c1-2-9-3-5-10(6-4-9)12-13-8-7-11(15)14-12/h7-10H,2-6H2,1H3,(H,13,14,15)
InChIKeyBDELKNJQPYFWMQ-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one (CID 65395577) is 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one is CCC1CCC(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is BDELKNJQPYFWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-9-3-5-10(6-4-9)12-13-8-7-11(15)14-12/h7-10H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one?
2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65395577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).