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

C12H18N2O2 — CID 136963559

IUPAC2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C12H18N2O2/c1-3-16-12(6-4-5-7-12)11-13-9(2)8-10(15)14-11/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyFQKANRZYKVNMPC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.88
Rot. Bonds3

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

2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963559) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963559
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C12H18N2O2/c1-3-16-12(6-4-5-7-12)11-13-9(2)8-10(15)14-11/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyFQKANRZYKVNMPC-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137017909
2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963634
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136960396
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963567
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136963889

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (CID 136963559) is 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FQKANRZYKVNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-16-12(6-4-5-7-12)11-13-9(2)8-10(15)14-11/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).