2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

C11H13N5 — CID 869186

IUPAC2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NCCc2ccccc2)n1
InChIInChI=1S/C11H13N5/c12-10-14-8-15-11(16-10)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14,15,16)
InChIKeyFGPGUEZCWJZEQB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.11
Rot. Bonds4

About 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 869186) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID869186
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NCCc2ccccc2)n1
InChIInChI=1S/C11H13N5/c12-10-14-8-15-11(16-10)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14,15,16)
InChIKeyFGPGUEZCWJZEQB-UHFFFAOYSA-N
XLogP1.11
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 869186) is 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(NCCc2ccccc2)n1.
What is the InChIKey of 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FGPGUEZCWJZEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-10-14-8-15-11(16-10)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14,15,16).
What are the key properties of 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 869186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).