6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C12H11F3N4 — CID 80763069

IUPAC6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C12H11F3N4/c1-16-10-6-11(18-7-17-10)19-9-5-3-2-4-8(9)12(13,14)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyXLDQGRDOSCVFDD-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.28
Rot. Bonds3

About 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 80763069) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID80763069
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C12H11F3N4/c1-16-10-6-11(18-7-17-10)19-9-5-3-2-4-8(9)12(13,14)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyXLDQGRDOSCVFDD-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine 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

4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
1-[4-[[6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866563
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
3-[[6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866576
4-N-benzyl-4-N-methyl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112859512
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80842036
6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854607

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 80763069) is 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CNc1cc(Nc2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is XLDQGRDOSCVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-16-10-6-11(18-7-17-10)19-9-5-3-2-4-8(9)12(13,14)15/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 268.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80763069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).