[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol

C13H20N2O — CID 65415658

IUPAC[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol
SMILESCCC1CCCC(c2nccc(CO)n2)C1
InChIInChI=1S/C13H20N2O/c1-2-10-4-3-5-11(8-10)13-14-7-6-12(9-16)15-13/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyXAHPCRUDOLIFDV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.65
Rot. Bonds3

About [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol

[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol (PubChem CID 65415658) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol
PubChem CID65415658
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol
SMILESCCC1CCCC(c2nccc(CO)n2)C1
InChIInChI=1S/C13H20N2O/c1-2-10-4-3-5-11(8-10)13-14-7-6-12(9-16)15-13/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyXAHPCRUDOLIFDV-UHFFFAOYSA-N
XLogP2.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol (CID 65415658) is [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol is CCC1CCCC(c2nccc(CO)n2)C1.
What is the InChIKey of [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol?
The InChIKey is XAHPCRUDOLIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-10-4-3-5-11(8-10)13-14-7-6-12(9-16)15-13/h6-7,10-11,16H,2-5,8-9H2,1H3.
What are the key properties of [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol?
[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 65415658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).