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

C12H18N2O3 — CID 104609915

IUPAC5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-3-8-9(15)13-11(14-10(8)16)12(17-2)6-4-5-7-12/h3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyPCSOUVQZOSJXTJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.45
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 104609915) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID104609915
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-3-8-9(15)13-11(14-10(8)16)12(17-2)6-4-5-7-12/h3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyPCSOUVQZOSJXTJ-UHFFFAOYSA-N
XLogP1.45
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201545
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79201653
4-hydroxy-5-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166194
5-ethyl-4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166195
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80166288
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80166289
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 104609915) is 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2(OC)CCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is PCSOUVQZOSJXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-8-9(15)13-11(14-10(8)16)12(17-2)6-4-5-7-12/h3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104609915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).