4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C19H18F3N5 — CID 22544122

IUPAC4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C19H18F3N5/c1-2-12-6-3-4-9-15(12)27-18-16(23)17(24-11-25-18)26-14-8-5-7-13(10-14)19(20,21)22/h3-11H,2,23H2,1H3,(H2,24,25,26,27)
InChIKeyPAIFVWYKCZNLQC-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.13
Rot. Bonds5

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

4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 22544122) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID22544122
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C19H18F3N5/c1-2-12-6-3-4-9-15(12)27-18-16(23)17(24-11-25-18)26-14-8-5-7-13(10-14)19(20,21)22/h3-11H,2,23H2,1H3,(H2,24,25,26,27)
InChIKeyPAIFVWYKCZNLQC-UHFFFAOYSA-N
XLogP5.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
6-N-[(2-chlorophenyl)methyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148539
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148529
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22546443
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025
6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19138049
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80738120

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 22544122) is 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is CCc1ccccc1Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is PAIFVWYKCZNLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-2-12-6-3-4-9-15(12)27-18-16(23)17(24-11-25-18)26-14-8-5-7-13(10-14)19(20,21)22/h3-11H,2,23H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 373.38 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).