N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H18F3N3 — CID 55110310

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nccc(CNC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3/c1-9-17-7-6-10(19-9)8-18-12-5-3-2-4-11(12)13(14,15)16/h6-7,11-12,18H,2-5,8H2,1H3
InChIKeyJZMUDMROKJZEEH-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.00
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 55110310) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID55110310
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nccc(CNC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3/c1-9-17-7-6-10(19-9)8-18-12-5-3-2-4-11(12)13(14,15)16/h6-7,11-12,18H,2-5,8H2,1H3
InChIKeyJZMUDMROKJZEEH-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 55110310) is N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1nccc(CNC2CCCCC2C(F)(F)F)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JZMUDMROKJZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-17-7-6-10(19-9)8-18-12-5-3-2-4-11(12)13(14,15)16/h6-7,11-12,18H,2-5,8H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 55110310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).