4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one

C14H22N2O2 — CID 136983289

IUPAC4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one
SMILESCCOC(CC)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-12(18-4-2)14-15-11(9-13(17)16-14)10-7-5-6-8-10/h9-10,12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOMGTWQNJWJWFKQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.92
Rot. Bonds5

About 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136983289) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one
PubChem CID136983289
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one
SMILESCCOC(CC)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-12(18-4-2)14-15-11(9-13(17)16-14)10-7-5-6-8-10/h9-10,12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOMGTWQNJWJWFKQ-UHFFFAOYSA-N
XLogP2.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136997545
4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one
CID 136964169
6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione
CID 106478434
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine
CID 116729139
5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 136997911
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 136983286

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one (CID 136983289) is 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one is CCOC(CC)c1nc(C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is OMGTWQNJWJWFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12(18-4-2)14-15-11(9-13(17)16-14)10-7-5-6-8-10/h9-10,12H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136983289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).