4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C17H18N6 — CID 712291

IUPAC4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H18N6/c1-22(2)16-19-15(18)20-17(21-16)23(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20,21)
InChIKeyRXWHSQPUNDULPX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.99
Rot. Bonds4

About 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine

4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 712291) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID712291
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H18N6/c1-22(2)16-19-15(18)20-17(21-16)23(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20,21)
InChIKeyRXWHSQPUNDULPX-UHFFFAOYSA-N
XLogP2.99
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 712291) is 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RXWHSQPUNDULPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-22(2)16-19-15(18)20-17(21-16)23(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 712291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).