(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol

C12H18N2O2 — CID 83184474

IUPAC(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
SMILESCc1nc(OC2CCCCC2)ncc1CO
InChIInChI=1S/C12H18N2O2/c1-9-10(8-15)7-13-12(14-9)16-11-5-3-2-4-6-11/h7,11,15H,2-6,8H2,1H3
InChIKeyNDTUAGPJNXXLDW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.99
Rot. Bonds3

About (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol

(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol (PubChem CID 83184474) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
PubChem CID83184474
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
SMILESCc1nc(OC2CCCCC2)ncc1CO
InChIInChI=1S/C12H18N2O2/c1-9-10(8-15)7-13-12(14-9)16-11-5-3-2-4-6-11/h7,11,15H,2-6,8H2,1H3
InChIKeyNDTUAGPJNXXLDW-UHFFFAOYSA-N
XLogP1.99
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol?
The IUPAC name of (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol (CID 83184474) is (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol.
What is the SMILES notation for (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol?
The canonical SMILES for (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol is Cc1nc(OC2CCCCC2)ncc1CO.
What is the InChIKey of (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol?
The InChIKey is NDTUAGPJNXXLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-10(8-15)7-13-12(14-9)16-11-5-3-2-4-6-11/h7,11,15H,2-6,8H2,1H3.
What are the key properties of (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol?
(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol has a molecular weight of 222.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol is sourced from PubChem (CID 83184474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).