4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile

C10H14N4 — CID 66920870

IUPAC4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1nc(N)cc(N)c1C#N
InChIInChI=1S/C10H14N4/c1-6(2)3-9-7(5-11)8(12)4-10(13)14-9/h4,6H,3H2,1-2H3,(H4,12,13,14)
InChIKeyNJKRUGHYVVMYQU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds2

About 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile

4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile (PubChem CID 66920870) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
PubChem CID66920870
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1nc(N)cc(N)c1C#N
InChIInChI=1S/C10H14N4/c1-6(2)3-9-7(5-11)8(12)4-10(13)14-9/h4,6H,3H2,1-2H3,(H4,12,13,14)
InChIKeyNJKRUGHYVVMYQU-UHFFFAOYSA-N
XLogP1.32
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile (CID 66920870) is 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile is CC(C)Cc1nc(N)cc(N)c1C#N.
What is the InChIKey of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
The InChIKey is NJKRUGHYVVMYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-6(2)3-9-7(5-11)8(12)4-10(13)14-9/h4,6H,3H2,1-2H3,(H4,12,13,14).
What are the key properties of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 66920870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).