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

C17H12F5N5 — CID 19148529

IUPAC4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F5N5/c18-10-4-5-13(12(19)7-10)27-16-14(23)15(24-8-25-16)26-11-3-1-2-9(6-11)17(20,21)22/h1-8H,23H2,(H2,24,25,26,27)
InChIKeyFIBBRIFGMUBLCS-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.84
Rot. Bonds4

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

4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 19148529) has the molecular formula C17H12F5N5 and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID19148529
Molecular FormulaC17H12F5N5
Molecular Weight381.31 g/mol
Exact Mass381.10
IUPAC Name4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F5N5/c18-10-4-5-13(12(19)7-10)27-16-14(23)15(24-8-25-16)26-11-3-1-2-9(6-11)17(20,21)22/h1-8H,23H2,(H2,24,25,26,27)
InChIKeyFIBBRIFGMUBLCS-UHFFFAOYSA-N
XLogP4.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22546443
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
1-[3-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547533
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19138049
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
6-imidazol-1-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148557
4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19150226

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 19148529) is 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1ccc(F)cc1F.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is FIBBRIFGMUBLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N5/c18-10-4-5-13(12(19)7-10)27-16-14(23)15(24-8-25-16)26-11-3-1-2-9(6-11)17(20,21)22/h1-8H,23H2,(H2,24,25,26,27).
What are the key properties of 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 381.31 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).