N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine

C13H16N4 — CID 134173031

IUPACN-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(Nc2nc(C)nc(C)n2)c1
InChIInChI=1S/C13H16N4/c1-8-5-9(2)7-12(6-8)17-13-15-10(3)14-11(4)16-13/h5-7H,1-4H3,(H,14,15,16,17)
InChIKeyOBRCGZLWGHKZRH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.85
Rot. Bonds2

About N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine

N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine (PubChem CID 134173031) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
PubChem CID134173031
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(Nc2nc(C)nc(C)n2)c1
InChIInChI=1S/C13H16N4/c1-8-5-9(2)7-12(6-8)17-13-15-10(3)14-11(4)16-13/h5-7H,1-4H3,(H,14,15,16,17)
InChIKeyOBRCGZLWGHKZRH-UHFFFAOYSA-N
XLogP2.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine (CID 134173031) is N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine is Cc1cc(C)cc(Nc2nc(C)nc(C)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is OBRCGZLWGHKZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-5-9(2)7-12(6-8)17-13-15-10(3)14-11(4)16-13/h5-7H,1-4H3,(H,14,15,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 134173031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).