2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

C13H13F3N4O — CID 80728582

IUPAC2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C13H13F3N4O/c1-8-7-18-12(17-2)20-11(8)19-9-4-3-5-10(6-9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyAZAIOWKKNSBBAK-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.47
Rot. Bonds4

About 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 80728582) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID80728582
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C13H13F3N4O/c1-8-7-18-12(17-2)20-11(8)19-9-4-3-5-10(6-9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyAZAIOWKKNSBBAK-UHFFFAOYSA-N
XLogP3.47
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-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

5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80761291
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
N-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 59174451
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 63736450
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (CID 80728582) is 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is CNc1ncc(C)c(Nc2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is AZAIOWKKNSBBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-7-18-12(17-2)20-11(8)19-9-4-3-5-10(6-9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 298.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80728582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).