6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride

C12H15ClF3N5 — CID 2826583

IUPAC6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C12H14F3N5.ClH/c1-11(2)19-9(16)18-10(17)20(11)8-6-4-3-5-7(8)12(13,14)15;/h3-6H,1-2H3,(H4,16,17,18,19);1H
InChIKeyCSRRLRDWMZPHJH-UHFFFAOYSA-N
MW321.73 g/mol
LogP2.31
Rot. Bonds1

About 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride

6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 2826583) has the molecular formula C12H15ClF3N5 and a molecular weight of 321.73 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID2826583
Molecular FormulaC12H15ClF3N5
Molecular Weight321.73 g/mol
Exact Mass321.10
IUPAC Name6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C12H14F3N5.ClH/c1-11(2)19-9(16)18-10(17)20(11)8-6-4-3-5-7(8)12(13,14)15;/h3-6H,1-2H3,(H4,16,17,18,19);1H
InChIKeyCSRRLRDWMZPHJH-UHFFFAOYSA-N
XLogP2.31
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 169374799
5-[2-fluoro-6-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373996
3-[2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]pentan-3-ol
CID 169375543
5-tert-butyl-1-[2-(trifluoromethyl)phenyl]triazol-4-amine
CID 79507637
5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373620
1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 62314005
1-[3,4-bis(methylsulfanyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134119395
5-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377541
5-[4-(dimethylamino)-3,5-bis(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377385
1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 134103228
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine
CID 97057892

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride (CID 2826583) is 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride is CC1(C)N=C(N)N=C(N)N1c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is CSRRLRDWMZPHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5.ClH/c1-11(2)19-9(16)18-10(17)20(11)8-6-4-3-5-7(8)12(13,14)15;/h3-6H,1-2H3,(H4,16,17,18,19);1H.
What are the key properties of 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 321.73 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 2826583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).