6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile

C9H12N4 — CID 126752195

IUPAC6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(N)nc(N(C)C)c1C#N
InChIInChI=1S/C9H12N4/c1-6-4-8(11)12-9(13(2)3)7(6)5-10/h4H,1-3H3,(H2,11,12)
InChIKeyPXLSMLYUNNYZGT-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.91
Rot. Bonds1

About 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile

6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 126752195) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile
PubChem CID126752195
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(N)nc(N(C)C)c1C#N
InChIInChI=1S/C9H12N4/c1-6-4-8(11)12-9(13(2)3)7(6)5-10/h4H,1-3H3,(H2,11,12)
InChIKeyPXLSMLYUNNYZGT-UHFFFAOYSA-N
XLogP0.91
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,6-dimethylpyridine
CID 21507
ST001233
CID 610514
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
4,5-Dimethylpyridin-2-amine
CID 12404013
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452
4-Methyl-6-(2-methylprop-1-enyl)pyridin-2-amine
CID 42625621
6-[3-(Dimethylamino)propyl]-4-methylpyridin-2-amine
CID 158447563
3,4,5-Pyridinetricarbonitrile, 2-amino-6-(dimethylamino)-
CID 265404
6-Amino-2,4-dimethyl-3-pyridinecarbonitrile
CID 3793299
2-Amino-5-cyanopyridine
CID 818260
6-[4-(Dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine
CID 164513505
6-[4-(Dimethylamino)butyl]-4-methylpyridin-2-amine
CID 164513506

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile (CID 126752195) is 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile is Cc1cc(N)nc(N(C)C)c1C#N.
What is the InChIKey of 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is PXLSMLYUNNYZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-4-8(11)12-9(13(2)3)7(6)5-10/h4H,1-3H3,(H2,11,12).
What are the key properties of 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile?
6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 126752195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).