2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O2 — CID 136773819

IUPAC2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(C(C)C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-9(2)11-10(3)15-13(16-12(11)17)14(18-4)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyUHEAPGDEACWGJP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.62
Rot. Bonds3

About 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136773819) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136773819
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(C(C)C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-9(2)11-10(3)15-13(16-12(11)17)14(18-4)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyUHEAPGDEACWGJP-UHFFFAOYSA-N
XLogP2.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
2-(1-ethoxycyclopentyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963830
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-propan-2-yl-1H-pyrimidin-6-one
CID 116745171
4-methyl-2-(oxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136274231
5-ethyl-2-(2-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136286941
2-(2-Methoxypropan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136286942
2-(2-methoxypropan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136286950
5-ethyl-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287893

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 136773819) is 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is COC1(c2nc(C)c(C(C)C)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UHEAPGDEACWGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)11-10(3)15-13(16-12(11)17)14(18-4)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).