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

C13H20N2O2 — CID 136773816

IUPAC5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C13H20N2O2/c1-4-10-9(2)14-12(15-11(10)16)13(17-3)7-5-6-8-13/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyCPRUXPBYWKEUGE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.06
Rot. Bonds3

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

5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136773816) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136773816
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C13H20N2O2/c1-4-10-9(2)14-12(15-11(10)16)13(17-3)7-5-6-8-13/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyCPRUXPBYWKEUGE-UHFFFAOYSA-N
XLogP2.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.06
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-(1-ethoxycyclopentyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963830
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-propan-2-yl-1H-pyrimidin-6-one
CID 116745171
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 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (CID 136773816) is 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(C2(OC)CCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CPRUXPBYWKEUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10-9(2)14-12(15-11(10)16)13(17-3)7-5-6-8-13/h4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).