4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile

C11H18N6 — CID 21388964

IUPAC4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile
SMILESCC(CNc1nc(N)cc(N)c1C#N)N(C)C
InChIInChI=1S/C11H18N6/c1-7(17(2)3)6-15-11-8(5-12)9(13)4-10(14)16-11/h4,7H,6H2,1-3H3,(H5,13,14,15,16)
InChIKeySSRXSHRDRREHCZ-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.48
Rot. Bonds4

About 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile

4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile (PubChem CID 21388964) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile
PubChem CID21388964
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile
SMILESCC(CNc1nc(N)cc(N)c1C#N)N(C)C
InChIInChI=1S/C11H18N6/c1-7(17(2)3)6-15-11-8(5-12)9(13)4-10(14)16-11/h4,7H,6H2,1-3H3,(H5,13,14,15,16)
InChIKeySSRXSHRDRREHCZ-UHFFFAOYSA-N
XLogP0.48
TPSA103.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile (CID 21388964) is 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile is CC(CNc1nc(N)cc(N)c1C#N)N(C)C.
What is the InChIKey of 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile?
The InChIKey is SSRXSHRDRREHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-7(17(2)3)6-15-11-8(5-12)9(13)4-10(14)16-11/h4,7H,6H2,1-3H3,(H5,13,14,15,16).
What are the key properties of 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile?
4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile has a molecular weight of 234.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 21388964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).