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

C19H18F3N5 — CID 19138049

IUPAC6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)14-7-4-8-15(11-14)27-18-16(23)17(25-12-26-18)24-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10,23H2,(H2,24,25,26,27)
InChIKeySPAYHIIUKWDJRQ-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.48
Rot. Bonds6

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

6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 19138049) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID19138049
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)14-7-4-8-15(11-14)27-18-16(23)17(25-12-26-18)24-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10,23H2,(H2,24,25,26,27)
InChIKeySPAYHIIUKWDJRQ-UHFFFAOYSA-N
XLogP4.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143608
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
6-N-(3-morpholin-4-ylpropyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143899
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80738120
4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148529
6-imidazol-1-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148557
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 19138049) is 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Nc1c(NCCc2ccccc2)ncnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is SPAYHIIUKWDJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c20-19(21,22)14-7-4-8-15(11-14)27-18-16(23)17(25-12-26-18)24-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10,23H2,(H2,24,25,26,27).
What are the key properties of 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 373.38 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19138049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).