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

C17H18ClN5 — CID 6624630

IUPAC2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClN5/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)
InChIKeyKAWRECNOSIGRKM-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.11
Rot. Bonds2

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

2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine (PubChem CID 6624630) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine
PubChem CID6624630
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClN5/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)
InChIKeyKAWRECNOSIGRKM-UHFFFAOYSA-N
XLogP3.11
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine (CID 6624630) is 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine is Cc1cc(C)cc(N2C(N)=NC(N)=NC2c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is KAWRECNOSIGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/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).
What are the key properties of 2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine?
2-(3-chlorophenyl)-1-(3,5-dimethylphenyl)-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 327.82 g/mol, XLogP of 3.11, 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 is sourced from PubChem (CID 6624630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).