4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

C12H18N2O2 — CID 136773814

IUPAC4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-3-9-8-10(15)14-11(13-9)12(16-2)6-4-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVPIIVHIEHPVTIA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.75
Rot. Bonds3

About 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 136773814) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID136773814
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-3-9-8-10(15)14-11(13-9)12(16-2)6-4-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVPIIVHIEHPVTIA-UHFFFAOYSA-N
XLogP1.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
2-(2-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136286928
4-ethyl-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136286934
2-(2-methoxypropan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136286935
2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287884
4-tert-butyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287886
4-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287887
2-(2-methyloxan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136287889
4-cyclopropyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287909
2-(2-methyloxan-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136287917
4-cyclopropyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297956
2-(2-methyloxolan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136297971

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 136773814) is 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(C2(OC)CCCC2)n1.
What is the InChIKey of 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is VPIIVHIEHPVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9-8-10(15)14-11(13-9)12(16-2)6-4-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).