4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C11H14N4 — CID 81051408

IUPAC4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CC2N)c(C#N)c(C)n1
InChIInChI=1S/C11H14N4/c1-6-3-10(15-11-4-9(11)13)8(5-12)7(2)14-6/h3,9,11H,4,13H2,1-2H3,(H,14,15)
InChIKeyPOKWCGLCMBZVCA-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.08
Rot. Bonds2

About 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81051408) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81051408
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CC2N)c(C#N)c(C)n1
InChIInChI=1S/C11H14N4/c1-6-3-10(15-11-4-9(11)13)8(5-12)7(2)14-6/h3,9,11H,4,13H2,1-2H3,(H,14,15)
InChIKeyPOKWCGLCMBZVCA-UHFFFAOYSA-N
XLogP1.08
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81051408) is 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NC2CC2N)c(C#N)c(C)n1.
What is the InChIKey of 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is POKWCGLCMBZVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-6-3-10(15-11-4-9(11)13)8(5-12)7(2)14-6/h3,9,11H,4,13H2,1-2H3,(H,14,15).
What are the key properties of 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81051408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).