2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C14H22N2O3 — CID 116745140

IUPAC2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(OC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-3-10-13(17)15-12(16-14(10)18)11(19-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyQGZBEEORONMXBE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds4

About 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745140) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745140
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(OC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-3-10-13(17)15-12(16-14(10)18)11(19-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyQGZBEEORONMXBE-UHFFFAOYSA-N
XLogP2.31
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(5-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 82836726
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 112569323
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
4-hydroxy-2-(1-methoxybutyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113554618
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705691
2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116705693

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 116745140) is 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C(OC)C2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QGZBEEORONMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-10-13(17)15-12(16-14(10)18)11(19-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).