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

C14H22N2O2 — CID 113397506

IUPAC2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol
SMILESCOc1cc(CC(O)C2CCC(C)CC2)ncn1
InChIInChI=1S/C14H22N2O2/c1-10-3-5-11(6-4-10)13(17)7-12-8-14(18-2)16-9-15-12/h8-11,13,17H,3-7H2,1-2H3
InChIKeyMYJMVQMFHDJENC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds4

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

2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol (PubChem CID 113397506) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol
PubChem CID113397506
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol
SMILESCOc1cc(CC(O)C2CCC(C)CC2)ncn1
InChIInChI=1S/C14H22N2O2/c1-10-3-5-11(6-4-10)13(17)7-12-8-14(18-2)16-9-15-12/h8-11,13,17H,3-7H2,1-2H3
InChIKeyMYJMVQMFHDJENC-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol (CID 113397506) is 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol is COc1cc(CC(O)C2CCC(C)CC2)ncn1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol?
The InChIKey is MYJMVQMFHDJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-3-5-11(6-4-10)13(17)7-12-8-14(18-2)16-9-15-12/h8-11,13,17H,3-7H2,1-2H3.
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol?
2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-1-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 113397506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).