2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C10H7ClF3N5 — CID 4688948

IUPAC2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H7ClF3N5/c11-5-2-1-3-6(4-5)16-9-18-7(10(12,13)14)17-8(15)19-9/h1-4H,(H3,15,16,17,18,19)
InChIKeyODNXECRDOAZGAA-UHFFFAOYSA-N
MW289.65 g/mol
LogP2.87
Rot. Bonds2

About 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 4688948) has the molecular formula C10H7ClF3N5 and a molecular weight of 289.65 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID4688948
Molecular FormulaC10H7ClF3N5
Molecular Weight289.65 g/mol
Exact Mass289.03
IUPAC Name2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H7ClF3N5/c11-5-2-1-3-6(4-5)16-9-18-7(10(12,13)14)17-8(15)19-9/h1-4H,(H3,15,16,17,18,19)
InChIKeyODNXECRDOAZGAA-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

6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
3-N-(3-chlorophenyl)-1,2,4-triazine-3,5,6-triamine
CID 1492761
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
6-tert-butyl-2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 167767387
3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]benzenethiol
CID 167276914
2-N,4-N-bis(3-chlorophenyl)-1,3,5-triazine-2,4,6-triamine;5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 67107869
6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine
CID 134533313
[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 58168920
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 4688948) is 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cccc(Cl)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ODNXECRDOAZGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5/c11-5-2-1-3-6(4-5)16-9-18-7(10(12,13)14)17-8(15)19-9/h1-4H,(H3,15,16,17,18,19).
What are the key properties of 2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(3-chlorophenyl)-6-(trifluoromethyl)-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-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4688948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).