2,4-diamino-6-propylpyridine-3,5-dicarbonitrile

C10H11N5 — CID 659074

IUPAC2,4-diamino-6-propylpyridine-3,5-dicarbonitrile
SMILESCCCc1nc(N)c(C#N)c(N)c1C#N
InChIInChI=1S/C10H11N5/c1-2-3-8-6(4-11)9(13)7(5-12)10(14)15-8/h2-3H2,1H3,(H4,13,14,15)
InChIKeyYYPYUXPAQYOLFA-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.94
Rot. Bonds2

About 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile

2,4-diamino-6-propylpyridine-3,5-dicarbonitrile (PubChem CID 659074) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-propylpyridine-3,5-dicarbonitrile
PubChem CID659074
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2,4-diamino-6-propylpyridine-3,5-dicarbonitrile
SMILESCCCc1nc(N)c(C#N)c(N)c1C#N
InChIInChI=1S/C10H11N5/c1-2-3-8-6(4-11)9(13)7(5-12)10(14)15-8/h2-3H2,1H3,(H4,13,14,15)
InChIKeyYYPYUXPAQYOLFA-UHFFFAOYSA-N
XLogP0.94
TPSA112.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile (CID 659074) is 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile is CCCc1nc(N)c(C#N)c(N)c1C#N.
What is the InChIKey of 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile?
The InChIKey is YYPYUXPAQYOLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-3-8-6(4-11)9(13)7(5-12)10(14)15-8/h2-3H2,1H3,(H4,13,14,15).
What are the key properties of 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile?
2,4-diamino-6-propylpyridine-3,5-dicarbonitrile has a molecular weight of 201.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-propylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 659074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).