1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine

C15H25N3O — CID 83189083

IUPAC1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(OC2CCC(C)C(C)C2)nc1C
InChIInChI=1S/C15H25N3O/c1-10-5-6-14(7-11(10)2)19-15-17-9-13(8-16-4)12(3)18-15/h9-11,14,16H,5-8H2,1-4H3
InChIKeyZUCTZVJJULCGPY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83189083) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83189083
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(OC2CCC(C)C(C)C2)nc1C
InChIInChI=1S/C15H25N3O/c1-10-5-6-14(7-11(10)2)19-15-17-9-13(8-16-4)12(3)18-15/h9-11,14,16H,5-8H2,1-4H3
InChIKeyZUCTZVJJULCGPY-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83189083) is 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(OC2CCC(C)C(C)C2)nc1C.
What is the InChIKey of 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is ZUCTZVJJULCGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10-5-6-14(7-11(10)2)19-15-17-9-13(8-16-4)12(3)18-15/h9-11,14,16H,5-8H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83189083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).