6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine

C11H15N5 — CID 19931

IUPAC6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccccc1
InChIInChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)
InChIKeyVMVKLCXTXSSZSI-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.87
Rot. Bonds1

About 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine

6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 19931) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID19931
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccccc1
InChIInChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)
InChIKeyVMVKLCXTXSSZSI-UHFFFAOYSA-N
XLogP0.87
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine (CID 19931) is 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccccc1.
What is the InChIKey of 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VMVKLCXTXSSZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15).
What are the key properties of 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 217.28 g/mol, XLogP of 0.87, 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-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).