(1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol

C13H20N2O2 — CID 112747712

IUPAC(1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol
SMILESCCC1(C(O)c2cnc(OC)nc2)CCCC1
InChIInChI=1S/C13H20N2O2/c1-3-13(6-4-5-7-13)11(16)10-8-14-12(17-2)15-9-10/h8-9,11,16H,3-7H2,1-2H3
InChIKeyIKXASAXCIRWLLR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.49
Rot. Bonds4

About (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol

(1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol (PubChem CID 112747712) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol
PubChem CID112747712
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol
SMILESCCC1(C(O)c2cnc(OC)nc2)CCCC1
InChIInChI=1S/C13H20N2O2/c1-3-13(6-4-5-7-13)11(16)10-8-14-12(17-2)15-9-10/h8-9,11,16H,3-7H2,1-2H3
InChIKeyIKXASAXCIRWLLR-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol?
The IUPAC name of (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol (CID 112747712) is (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol.
What is the SMILES notation for (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol?
The canonical SMILES for (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol is CCC1(C(O)c2cnc(OC)nc2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol?
The InChIKey is IKXASAXCIRWLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-13(6-4-5-7-13)11(16)10-8-14-12(17-2)15-9-10/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol?
(1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(2-methoxypyrimidin-5-yl)methanol is sourced from PubChem (CID 112747712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).