2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one

C13H20N2O3 — CID 114204934

IUPAC2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CO)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H20N2O3/c1-18-11(9-5-3-2-4-6-9)12-14-7-10(8-16)13(17)15-12/h7,9,11,16H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyHUYQAWGBUYDJER-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.53
Rot. Bonds4

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

2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 114204934) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID114204934
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CO)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H20N2O3/c1-18-11(9-5-3-2-4-6-9)12-14-7-10(8-16)13(17)15-12/h7,9,11,16H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyHUYQAWGBUYDJER-UHFFFAOYSA-N
XLogP1.53
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204887
5-(hydroxymethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114204901
5-(hydroxymethyl)-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114204913
5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
CID 114204924
5-(hydroxymethyl)-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 114204927
2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775144
2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775152
ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 116775168
2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 116782603
5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116782625
5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116782635

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 114204934) is 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one is COC(c1ncc(CO)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is HUYQAWGBUYDJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-11(9-5-3-2-4-6-9)12-14-7-10(8-16)13(17)15-12/h7,9,11,16H,2-6,8H2,1H3,(H,14,15,17).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.53, 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-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114204934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).