5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C17H12ClF3N4 — CID 156768858

IUPAC5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)ncc2Cl)c1
InChIInChI=1S/C17H12ClF3N4/c18-14-10-22-16(24-12-6-2-1-3-7-12)25-15(14)23-13-8-4-5-11(9-13)17(19,20)21/h1-10H,(H2,22,23,24,25)
InChIKeyNFXIWZBRMBJQQA-UHFFFAOYSA-N
MW364.76 g/mol
LogP5.64
Rot. Bonds4

About 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 156768858) has the molecular formula C17H12ClF3N4 and a molecular weight of 364.76 g/mol. Its IUPAC name is 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID156768858
Molecular FormulaC17H12ClF3N4
Molecular Weight364.76 g/mol
Exact Mass364.07
IUPAC Name5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)ncc2Cl)c1
InChIInChI=1S/C17H12ClF3N4/c18-14-10-22-16(24-12-6-2-1-3-7-12)25-15(14)23-13-8-4-5-11(9-13)17(19,20)21/h1-10H,(H2,22,23,24,25)
InChIKeyNFXIWZBRMBJQQA-UHFFFAOYSA-N
XLogP5.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.76
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

C-1368
CID 9549303
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N-(4-chlorophenyl)-N'-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819603
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328058
2,4-Disubstituted Pyrimidine 2k
CID 5329424
2,4-Disubstituted Pyrimidine 2l
CID 5329425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 156768858) is 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)ncc2Cl)c1.
What is the InChIKey of 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is NFXIWZBRMBJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4/c18-14-10-22-16(24-12-6-2-1-3-7-12)25-15(14)23-13-8-4-5-11(9-13)17(19,20)21/h1-10H,(H2,22,23,24,25).
What are the key properties of 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 364.76 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-phenyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 156768858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).