2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile

C9H12N4 — CID 147347191

IUPAC2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(N)c(C#N)c(C)c1C
InChIInChI=1S/C9H12N4/c1-5-6(2)9(12-3)13-8(11)7(5)4-10/h1-3H3,(H3,11,12,13)
InChIKeyDEQYPALEEALXHH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.19
Rot. Bonds1

About 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile

2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile (PubChem CID 147347191) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile
PubChem CID147347191
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(N)c(C#N)c(C)c1C
InChIInChI=1S/C9H12N4/c1-5-6(2)9(12-3)13-8(11)7(5)4-10/h1-3H3,(H3,11,12,13)
InChIKeyDEQYPALEEALXHH-UHFFFAOYSA-N
XLogP1.19
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 167162961
2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile
CID 25179420
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
2-[[6-amino-5-cyano-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid
CID 89331436
2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
CID 2726058
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile
CID 102795991
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
4-amino-2-methyl-6-(sulfanylmethyl)pyrimidine-5-carbonitrile
CID 57237902
2-amino-6-bromo-4-methylpyridine-3-carbonitrile
CID 165386870

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile (CID 147347191) is 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile is CNc1nc(N)c(C#N)c(C)c1C.
What is the InChIKey of 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile?
The InChIKey is DEQYPALEEALXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-5-6(2)9(12-3)13-8(11)7(5)4-10/h1-3H3,(H3,11,12,13).
What are the key properties of 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile?
2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 147347191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).