[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol

C13H20N2O2 — CID 116779001

IUPAC[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
SMILESCOC(c1ncc(CO)cn1)C1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-17-12(11-5-3-2-4-6-11)13-14-7-10(9-16)8-15-13/h7-8,11-12,16H,2-6,9H2,1H3
InChIKeyGNOOZBYSVJHTHV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.24
Rot. Bonds4

About [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol

[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol (PubChem CID 116779001) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
PubChem CID116779001
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
SMILESCOC(c1ncc(CO)cn1)C1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-17-12(11-5-3-2-4-6-11)13-14-7-10(9-16)8-15-13/h7-8,11-12,16H,2-6,9H2,1H3
InChIKeyGNOOZBYSVJHTHV-UHFFFAOYSA-N
XLogP2.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol (CID 116779001) is [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol is COC(c1ncc(CO)cn1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol?
The InChIKey is GNOOZBYSVJHTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-12(11-5-3-2-4-6-11)13-14-7-10(9-16)8-15-13/h7-8,11-12,16H,2-6,9H2,1H3.
What are the key properties of [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol?
[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 116779001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).