5,6-diamino-2,4-dimethylpyridine-3-carbonitrile

C8H10N4 — CID 54463519

IUPAC5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N)c(N)c(C)c1C#N
InChIInChI=1S/C8H10N4/c1-4-6(3-9)5(2)12-8(11)7(4)10/h10H2,1-2H3,(H2,11,12)
InChIKeyXDGKVHRTHRLPCF-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.73
Rot. Bonds

About 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile

5,6-diamino-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 54463519) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
PubChem CID54463519
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N)c(N)c(C)c1C#N
InChIInChI=1S/C8H10N4/c1-4-6(3-9)5(2)12-8(11)7(4)10/h10H2,1-2H3,(H2,11,12)
InChIKeyXDGKVHRTHRLPCF-UHFFFAOYSA-N
XLogP0.73
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile (CID 54463519) is 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile is Cc1nc(N)c(N)c(C)c1C#N.
What is the InChIKey of 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is XDGKVHRTHRLPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-4-6(3-9)5(2)12-8(11)7(4)10/h10H2,1-2H3,(H2,11,12).
What are the key properties of 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile?
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 54463519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).