6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C14H15F3N4 — CID 80736431

IUPAC6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C14H15F3N4/c1-8-12(18-3)19-9(2)20-13(8)21-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,20,21)
InChIKeySJJZLFZQPMMCKQ-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.90
Rot. Bonds3

About 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 80736431) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID80736431
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C14H15F3N4/c1-8-12(18-3)19-9(2)20-13(8)21-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,20,21)
InChIKeySJJZLFZQPMMCKQ-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N,2,5-trimethyl-4-N-[3-(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

6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80769102
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
2-methyl-N-[3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 44660926
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 141366646
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80778681
4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54766055
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63515166

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 80736431) is 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CNc1nc(C)nc(Nc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is SJJZLFZQPMMCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-8-12(18-3)19-9(2)20-13(8)21-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80736431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).