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

C11H16N2O3 — CID 116705687

IUPAC5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(OC)CCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-7-8(14)12-10(13-9(7)15)11(16-2)5-4-6-11/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKCRJQSCWLPUDEK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 116705687) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID116705687
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(OC)CCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-7-8(14)12-10(13-9(7)15)11(16-2)5-4-6-11/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKCRJQSCWLPUDEK-UHFFFAOYSA-N
XLogP1.06
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
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-2-(1-methoxyethyl)-5-propyl-1H-pyrimidin-6-one
CID 79617234
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235
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
5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 116705687) is 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2(OC)CCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is KCRJQSCWLPUDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-7-8(14)12-10(13-9(7)15)11(16-2)5-4-6-11/h3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.06, 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-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).