2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C14H22N2O3 — CID 116745111

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(7-5-6-9(2)8-14)13-15-11(17)10(3)12(18)16-13/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIGYBNJUNVGDTDB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.23
Rot. Bonds3

About 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116745111) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116745111
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(7-5-6-9(2)8-14)13-15-11(17)10(3)12(18)16-13/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIGYBNJUNVGDTDB-UHFFFAOYSA-N
XLogP2.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-3-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963823
5-fluoro-2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983393
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
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
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
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116745111) is 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IGYBNJUNVGDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-14(7-5-6-9(2)8-14)13-15-11(17)10(3)12(18)16-13/h9H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).