2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile

C13H15N7 — CID 80852633

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
SMILESCN(C)c1nc(N)nc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C13H15N7/c1-19(2)12-16-11(15)17-13(18-12)20(3)10-7-5-4-6-9(10)8-14/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyJYRNVNIXZAHZKE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.16
Rot. Bonds3

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile (PubChem CID 80852633) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
PubChem CID80852633
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
SMILESCN(C)c1nc(N)nc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C13H15N7/c1-19(2)12-16-11(15)17-13(18-12)20(3)10-7-5-4-6-9(10)8-14/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyJYRNVNIXZAHZKE-UHFFFAOYSA-N
XLogP1.16
TPSA94.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543256
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
CID 80852558
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 80930123
2-(2-amino-3-chloro-N-methylanilino)benzonitrile
CID 104834743
2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80941607
2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile
CID 80926117
2-(2-amino-3,5-difluoro-N-methylanilino)benzonitrile
CID 115507173
2-[(2-aminopyrimidin-4-yl)methyl-methylamino]benzonitrile
CID 112751288
2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816631
3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
CID 106951503
2-amino-3-(2-cyano-N-methylanilino)benzamide
CID 115546642
6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818336

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile (CID 80852633) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile is CN(C)c1nc(N)nc(N(C)c2ccccc2C#N)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile?
The InChIKey is JYRNVNIXZAHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-19(2)12-16-11(15)17-13(18-12)20(3)10-7-5-4-6-9(10)8-14/h4-7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile has a molecular weight of 269.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile is sourced from PubChem (CID 80852633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).