(2-ethylcyclohexyl)-pyrimidin-5-ylmethanol

C13H20N2O — CID 102924025

IUPAC(2-ethylcyclohexyl)-pyrimidin-5-ylmethanol
SMILESCCC1CCCCC1C(O)c1cncnc1
InChIInChI=1S/C13H20N2O/c1-2-10-5-3-4-6-12(10)13(16)11-7-14-9-15-8-11/h7-10,12-13,16H,2-6H2,1H3
InChIKeyCBXLYGVKEOEHGI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.73
Rot. Bonds3

About (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol

(2-ethylcyclohexyl)-pyrimidin-5-ylmethanol (PubChem CID 102924025) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-pyrimidin-5-ylmethanol
PubChem CID102924025
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2-ethylcyclohexyl)-pyrimidin-5-ylmethanol
SMILESCCC1CCCCC1C(O)c1cncnc1
InChIInChI=1S/C13H20N2O/c1-2-10-5-3-4-6-12(10)13(16)11-7-14-9-15-8-11/h7-10,12-13,16H,2-6H2,1H3
InChIKeyCBXLYGVKEOEHGI-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol (CID 102924025) is (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol is CCC1CCCCC1C(O)c1cncnc1.
What is the InChIKey of (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol?
The InChIKey is CBXLYGVKEOEHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-10-5-3-4-6-12(10)13(16)11-7-14-9-15-8-11/h7-10,12-13,16H,2-6H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol?
(2-ethylcyclohexyl)-pyrimidin-5-ylmethanol has a molecular weight of 220.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 102924025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).