6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine

C17H18N6 — CID 155553420

IUPAC6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine
SMILESNCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H18N6/c18-10-13-8-4-5-9-14(13)15-21-16(19)23-17(22-15)20-11-12-6-2-1-3-7-12/h1-9H,10-11,18H2,(H3,19,20,21,22,23)
InChIKeyBAQJJNQZLFDCOH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.19
Rot. Bonds5

About 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine

6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine (PubChem CID 155553420) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine
PubChem CID155553420
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine
SMILESNCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H18N6/c18-10-13-8-4-5-9-14(13)15-21-16(19)23-17(22-15)20-11-12-6-2-1-3-7-12/h1-9H,10-11,18H2,(H3,19,20,21,22,23)
InChIKeyBAQJJNQZLFDCOH-UHFFFAOYSA-N
XLogP2.19
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine (CID 155553420) is 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine is NCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1.
What is the InChIKey of 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BAQJJNQZLFDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c18-10-13-8-4-5-9-14(13)15-21-16(19)23-17(22-15)20-11-12-6-2-1-3-7-12/h1-9H,10-11,18H2,(H3,19,20,21,22,23).
What are the key properties of 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine?
6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine has a molecular weight of 306.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155553420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).