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

C17H11ClF4N4 — CID 156768813

IUPAC5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H11ClF4N4/c18-14-9-23-16(25-12-6-4-11(19)5-7-12)26-15(14)24-13-3-1-2-10(8-13)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyUGBDWDUEHMHBDO-UHFFFAOYSA-N
MW382.75 g/mol
LogP5.78
Rot. Bonds4

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

5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 156768813) has the molecular formula C17H11ClF4N4 and a molecular weight of 382.75 g/mol. Its IUPAC name is 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID156768813
Molecular FormulaC17H11ClF4N4
Molecular Weight382.75 g/mol
Exact Mass382.06
IUPAC Name5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H11ClF4N4/c18-14-9-23-16(25-12-6-4-11(19)5-7-12)26-15(14)24-13-3-1-2-10(8-13)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyUGBDWDUEHMHBDO-UHFFFAOYSA-N
XLogP5.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.75
LogP ≤ 55.78
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-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
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
Bisanilinopyrimidine, 6g
CID 70702138
N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 24821287
US9205085, Msx-197
CID 49857485

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 156768813) is 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Fc1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is UGBDWDUEHMHBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N4/c18-14-9-23-16(25-12-6-4-11(19)5-7-12)26-15(14)24-13-3-1-2-10(8-13)17(20,21)22/h1-9H,(H2,23,24,25,26).
What are the key properties of 5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 382.75 g/mol, XLogP of 5.78, 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-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 156768813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).