6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C17H14F3N5 — CID 22545606

IUPAC6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2)ncnc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N5/c18-17(19,20)12-8-4-5-9-13(12)25-16-14(21)15(22-10-23-16)24-11-6-2-1-3-7-11/h1-10H,21H2,(H2,22,23,24,25)
InChIKeySQSSUUZJCMBSOW-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.56
Rot. Bonds4

About 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 22545606) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID22545606
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2)ncnc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N5/c18-17(19,20)12-8-4-5-9-13(12)25-16-14(21)15(22-10-23-16)24-11-6-2-1-3-7-11/h1-10H,21H2,(H2,22,23,24,25)
InChIKeySQSSUUZJCMBSOW-UHFFFAOYSA-N
XLogP4.56
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine 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-(4-ethylphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544237
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545630
6-N-(1,3-benzodioxol-5-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542032
ethyl 4-[[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoate
CID 22545595
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542257
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
4-N-(2-chlorophenyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19147954
6-(4-chlorophenyl)sulfanyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545533
N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57096235

Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 22545606) is 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Nc1c(Nc2ccccc2)ncnc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is SQSSUUZJCMBSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c18-17(19,20)12-8-4-5-9-13(12)25-16-14(21)15(22-10-23-16)24-11-6-2-1-3-7-11/h1-10H,21H2,(H2,22,23,24,25).
What are the key properties of 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 345.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).