4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one

C12H18N2O3 — CID 136842575

IUPAC4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(COC2CCCCC2)nc(CO)[nH]1
InChIInChI=1S/C12H18N2O3/c15-7-11-13-9(6-12(16)14-11)8-17-10-4-2-1-3-5-10/h6,10,15H,1-5,7-8H2,(H,13,14,16)
InChIKeyZPQMEQRTWFSRCG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.11
Rot. Bonds4

About 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one

4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 136842575) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID136842575
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(COC2CCCCC2)nc(CO)[nH]1
InChIInChI=1S/C12H18N2O3/c15-7-11-13-9(6-12(16)14-11)8-17-10-4-2-1-3-5-10/h6,10,15H,1-5,7-8H2,(H,13,14,16)
InChIKeyZPQMEQRTWFSRCG-UHFFFAOYSA-N
XLogP1.11
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one (CID 136842575) is 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one is O=c1cc(COC2CCCCC2)nc(CO)[nH]1.
What is the InChIKey of 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ZPQMEQRTWFSRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-7-11-13-9(6-12(16)14-11)8-17-10-4-2-1-3-5-10/h6,10,15H,1-5,7-8H2,(H,13,14,16).
What are the key properties of 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one?
4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136842575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).