2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one

C12H18N2O2 — CID 136773815

IUPAC2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-11(14-10(8)15)12(16-3)6-4-5-7-12/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyVQCRSQOEKXVVKZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.80
Rot. Bonds2

About 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136773815) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136773815
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-11(14-10(8)15)12(16-3)6-4-5-7-12/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyVQCRSQOEKXVVKZ-UHFFFAOYSA-N
XLogP1.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.80
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
5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963829
2-(1-ethoxycyclopentyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963830
5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983390
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983392
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 113432633
2-(1-ethoxycyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113559542
2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745118
4,5-dimethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287892

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 136773815) is 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one is COC1(c2nc(C)c(C)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is VQCRSQOEKXVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-9(2)13-11(14-10(8)15)12(16-3)6-4-5-7-12/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).