[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine

C14H23N3O — CID 83189230

IUPAC[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(OC2CCC(C)C(C)C2)ncc1CN
InChIInChI=1S/C14H23N3O/c1-9-4-5-13(6-10(9)2)18-14-16-8-12(7-15)11(3)17-14/h8-10,13H,4-7,15H2,1-3H3
InChIKeyOWMJMWRCXLQZRW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.45
Rot. Bonds3

About [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine

[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83189230) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine
PubChem CID83189230
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(OC2CCC(C)C(C)C2)ncc1CN
InChIInChI=1S/C14H23N3O/c1-9-4-5-13(6-10(9)2)18-14-16-8-12(7-15)11(3)17-14/h8-10,13H,4-7,15H2,1-3H3
InChIKeyOWMJMWRCXLQZRW-UHFFFAOYSA-N
XLogP2.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine (CID 83189230) is [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine is Cc1nc(OC2CCC(C)C(C)C2)ncc1CN.
What is the InChIKey of [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is OWMJMWRCXLQZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-4-5-13(6-10(9)2)18-14-16-8-12(7-15)11(3)17-14/h8-10,13H,4-7,15H2,1-3H3.
What are the key properties of [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine?
[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).