4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile

C12H12N6 — CID 66802810

IUPAC4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile
SMILESCc1cccc(N(C)c2nc(N)nc(C#N)n2)c1
InChIInChI=1S/C12H12N6/c1-8-4-3-5-9(6-8)18(2)12-16-10(7-13)15-11(14)17-12/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyTWKQYHDAYIGDIC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.40
Rot. Bonds2

About 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile

4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile (PubChem CID 66802810) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile
PubChem CID66802810
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile
SMILESCc1cccc(N(C)c2nc(N)nc(C#N)n2)c1
InChIInChI=1S/C12H12N6/c1-8-4-3-5-9(6-8)18(2)12-16-10(7-13)15-11(14)17-12/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyTWKQYHDAYIGDIC-UHFFFAOYSA-N
XLogP1.40
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 150772863
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750
6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80908545
2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80818142
2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815811
6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818220
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893
2-bromo-4-(N,3-dimethylanilino)benzonitrile
CID 107276249
5-(N,3-dimethylanilino)-2-nitrobenzonitrile
CID 115501146
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043
N-methyl-N-(3-methylphenyl)pyridin-4-amine
CID 89072633
2-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-diamine
CID 62002618

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile (CID 66802810) is 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile is Cc1cccc(N(C)c2nc(N)nc(C#N)n2)c1.
What is the InChIKey of 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is TWKQYHDAYIGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-4-3-5-9(6-8)18(2)12-16-10(7-13)15-11(14)17-12/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile?
4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 66802810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).