2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C13H12F3N3 — CID 62880800

IUPAC2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3/c1-9-17-7-6-12(19-9)18-8-10-4-2-3-5-11(10)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyNVXKILHPOAIDQM-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 62880800) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID62880800
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3/c1-9-17-7-6-12(19-9)18-8-10-4-2-3-5-11(10)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyNVXKILHPOAIDQM-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
4-N-[(2-fluorophenyl)methyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891181
2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbothioamide
CID 62881671
2-[[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 152788937
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 62879966
2-methyl-6-N-[(2-methylphenyl)methyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112871745
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine
CID 67421486
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 62880800) is 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is Cc1nccc(NCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is NVXKILHPOAIDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-9-17-7-6-12(19-9)18-8-10-4-2-3-5-11(10)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 267.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 62880800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).