2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C14H20N6 — CID 80818142

IUPAC2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(C)cc(N(C)c2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C14H20N6/c1-9-6-10(2)8-11(7-9)20(5)14-17-12(15)16-13(18-14)19(3)4/h6-8H,1-5H3,(H2,15,16,17,18)
InChIKeyPZQBGDTYNSMFOF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.90
Rot. Bonds3

About 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80818142) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80818142
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(C)cc(N(C)c2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C14H20N6/c1-9-6-10(2)8-11(7-9)20(5)14-17-12(15)16-13(18-14)19(3)4/h6-8H,1-5H3,(H2,15,16,17,18)
InChIKeyPZQBGDTYNSMFOF-UHFFFAOYSA-N
XLogP1.90
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80818142) is 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is Cc1cc(C)cc(N(C)c2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PZQBGDTYNSMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-9-6-10(2)8-11(7-9)20(5)14-17-12(15)16-13(18-14)19(3)4/h6-8H,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 272.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80818142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).