2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

C14H22N2O2 — CID 136963792

IUPAC2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-4-11-10(3)12(17)16-13(15-11)14(18-5-2)8-6-7-9-14/h4-9H2,1-3H3,(H,15,16,17)
InChIKeyFEYFRCQSJYDDOM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.45
Rot. Bonds4

About 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136963792) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136963792
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-4-11-10(3)12(17)16-13(15-11)14(18-5-2)8-6-7-9-14/h4-9H2,1-3H3,(H,15,16,17)
InChIKeyFEYFRCQSJYDDOM-UHFFFAOYSA-N
XLogP2.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963802
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136963889
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
5-bromo-2-(1-ethoxycyclohexyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964105
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
4-tert-butyl-2-(1-ethoxycyclopentyl)-5-iodo-1H-pyrimidin-6-one
CID 136963939
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
CID 136963951
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 136963792) is 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(CC)c(C)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is FEYFRCQSJYDDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11-10(3)12(17)16-13(15-11)14(18-5-2)8-6-7-9-14/h4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).