2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C10H7ClF3N5 — CID 2735891

IUPAC2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C10H7ClF3N5/c11-6-2-1-5(10(12,13)14)3-7(6)18-9-17-4-16-8(15)19-9/h1-4H,(H3,15,16,17,18,19)
InChIKeyCYARBCSNNHTWCC-UHFFFAOYSA-N
MW289.65 g/mol
LogP2.87
Rot. Bonds2

About 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 2735891) has the molecular formula C10H7ClF3N5 and a molecular weight of 289.65 g/mol. Its IUPAC name is 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID2735891
Molecular FormulaC10H7ClF3N5
Molecular Weight289.65 g/mol
Exact Mass289.03
IUPAC Name2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C10H7ClF3N5/c11-6-2-1-5(10(12,13)14)3-7(6)18-9-17-4-16-8(15)19-9/h1-4H,(H3,15,16,17,18,19)
InChIKeyCYARBCSNNHTWCC-UHFFFAOYSA-N
XLogP2.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.65
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 704906
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 22541138
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541112
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80926807
4-[[5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 22541316
6-N-(4-bromophenyl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541226
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-phenoxypyrimidine-4,5-diamine
CID 22541271
4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541308
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541164

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 2735891) is 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CYARBCSNNHTWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5/c11-6-2-1-5(10(12,13)14)3-7(6)18-9-17-4-16-8(15)19-9/h1-4H,(H3,15,16,17,18,19).
What are the key properties of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2735891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).