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

C9H12N4 — CID 747584

IUPAC2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(N)n1
InChIInChI=1S/C9H12N4/c1-6-4-8(13(2)3)7(5-10)9(11)12-6/h4H,1-3H3,(H2,11,12)
InChIKeyZTOUFFDGAYTPDW-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.91
Rot. Bonds1

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

2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile (PubChem CID 747584) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
PubChem CID747584
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(N)n1
InChIInChI=1S/C9H12N4/c1-6-4-8(13(2)3)7(5-10)9(11)12-6/h4H,1-3H3,(H2,11,12)
InChIKeyZTOUFFDGAYTPDW-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile (CID 747584) is 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile is Cc1cc(N(C)C)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
The InChIKey is ZTOUFFDGAYTPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-4-8(13(2)3)7(5-10)9(11)12-6/h4H,1-3H3,(H2,11,12).
What are the key properties of 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
2-amino-4-(dimethylamino)-6-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 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 747584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).