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

C17H11ClF4N4 — CID 156768854

IUPAC5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3ccccc3)ncc2Cl)cc1C(F)(F)F
InChIInChI=1S/C17H11ClF4N4/c18-13-9-23-16(25-10-4-2-1-3-5-10)26-15(13)24-11-6-7-14(19)12(8-11)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyIWBJSTHJGJGCJM-UHFFFAOYSA-N
MW382.75 g/mol
LogP5.78
Rot. Bonds4

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

5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 156768854) has the molecular formula C17H11ClF4N4 and a molecular weight of 382.75 g/mol. Its IUPAC name is 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
PubChem CID156768854
Molecular FormulaC17H11ClF4N4
Molecular Weight382.75 g/mol
Exact Mass382.06
IUPAC Name5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3ccccc3)ncc2Cl)cc1C(F)(F)F
InChIInChI=1S/C17H11ClF4N4/c18-13-9-23-16(25-10-4-2-1-3-5-10)26-15(13)24-11-6-7-14(19)12(8-11)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyIWBJSTHJGJGCJM-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

5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768832
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491
N-[4-[[5-chloro-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 164619885
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine (CID 156768854) is 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine is Fc1ccc(Nc2nc(Nc3ccccc3)ncc2Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is IWBJSTHJGJGCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N4/c18-13-9-23-16(25-10-4-2-1-3-5-10)26-15(13)24-11-6-7-14(19)12(8-11)17(20,21)22/h1-9H,(H2,23,24,25,26).
What are the key properties of 5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-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-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 156768854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).