1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol

C14H22N2O2 — CID 113397518

IUPAC1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(CC(O)C2CCCCCC2)ncn1
InChIInChI=1S/C14H22N2O2/c1-18-14-9-12(15-10-16-14)8-13(17)11-6-4-2-3-5-7-11/h9-11,13,17H,2-8H2,1H3
InChIKeyJIAUXGVWWRMDOW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.36
Rot. Bonds4

About 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol

1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 113397518) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID113397518
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(CC(O)C2CCCCCC2)ncn1
InChIInChI=1S/C14H22N2O2/c1-18-14-9-12(15-10-16-14)8-13(17)11-6-4-2-3-5-7-11/h9-11,13,17H,2-8H2,1H3
InChIKeyJIAUXGVWWRMDOW-UHFFFAOYSA-N
XLogP2.36
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol (CID 113397518) is 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(CC(O)C2CCCCCC2)ncn1.
What is the InChIKey of 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is JIAUXGVWWRMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14-9-12(15-10-16-14)8-13(17)11-6-4-2-3-5-7-11/h9-11,13,17H,2-8H2,1H3.
What are the key properties of 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol?
1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 113397518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).