2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C19H17F3N4 — CID 112894149

IUPAC2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C19H17F3N4/c20-19(21,22)15-8-4-5-9-16(15)25-17-11-13-24-18(26-17)23-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,23,24,25,26)
InChIKeyXIERXUDPIYYZKA-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.89
Rot. Bonds6

About 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112894149) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112894149
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C19H17F3N4/c20-19(21,22)15-8-4-5-9-16(15)25-17-11-13-24-18(26-17)23-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,23,24,25,26)
InChIKeyXIERXUDPIYYZKA-UHFFFAOYSA-N
XLogP4.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893358
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901412
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
2-N-benzyl-2-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891033
4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882930
2-N-(4-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903814
2-N-benzyl-2-N-ethyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893092
2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112899437
4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899390
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112885487
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112894149) is 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1ccccc1Nc1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is XIERXUDPIYYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c20-19(21,22)15-8-4-5-9-16(15)25-17-11-13-24-18(26-17)23-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,23,24,25,26).
What are the key properties of 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 358.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112894149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).