2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C17H19Cl2N5 — CID 17060771

IUPAC2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C17H18ClN5.ClH/c1-10-6-11(2)8-14(7-10)23-15(21-16(19)22-17(23)20)12-4-3-5-13(18)9-12;/h3-9,15H,1-2H3,(H4,19,20,21,22);1H
InChIKeyKKLOUYLBBIYXRO-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.53
Rot. Bonds2

About 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride

2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 17060771) has the molecular formula C17H19Cl2N5 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID17060771
Molecular FormulaC17H19Cl2N5
Molecular Weight364.28 g/mol
Exact Mass363.10
IUPAC Name2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C17H18ClN5.ClH/c1-10-6-11(2)8-14(7-10)23-15(21-16(19)22-17(23)20)12-4-3-5-13(18)9-12;/h3-9,15H,1-2H3,(H4,19,20,21,22);1H
InChIKeyKKLOUYLBBIYXRO-UHFFFAOYSA-N
XLogP3.53
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-Chloroanilino)methyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 16073802
1-(3,5-Dimethylphenyl)-6-(2-fluorophenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 17060769
1-(4-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 427350
1-(3-Chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 427454
1-(3,4-Dichloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 10404620
N-(3-ethylphenyl)-N-methyl-N'-(2,5-dichlorophenyl)guanidine hydrochloride
CID 22120065
1-(2,5-Dichlorophenyl)-2-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 22120072
1-(2-Chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride
CID 22121769
1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44529843
6,6-Dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 418679
1,6-Diphenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 2843890
2-benzyl-1-(4-chlorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 24192113

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 17060771) is 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride is Cc1cc(C)cc(N2C(N)=NC(N)=NC2c2cccc(Cl)c2)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is KKLOUYLBBIYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5.ClH/c1-10-6-11(2)8-14(7-10)23-15(21-16(19)22-17(23)20)12-4-3-5-13(18)9-12;/h3-9,15H,1-2H3,(H4,19,20,21,22);1H.
What are the key properties of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 364.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 17060771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).