4,6-diamino-2-ethoxypyridine-3-carbonitrile

C8H10N4O — CID 13149868

IUPAC4,6-diamino-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(N)cc(N)c1C#N
InChIInChI=1S/C8H10N4O/c1-2-13-8-5(4-9)6(10)3-7(11)12-8/h3H,2H2,1H3,(H4,10,11,12)
InChIKeyDUOIZFMKCCPFCW-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.52
Rot. Bonds2

About 4,6-diamino-2-ethoxypyridine-3-carbonitrile

4,6-diamino-2-ethoxypyridine-3-carbonitrile (PubChem CID 13149868) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4,6-diamino-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-ethoxypyridine-3-carbonitrile
PubChem CID13149868
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4,6-diamino-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(N)cc(N)c1C#N
InChIInChI=1S/C8H10N4O/c1-2-13-8-5(4-9)6(10)3-7(11)12-8/h3H,2H2,1H3,(H4,10,11,12)
InChIKeyDUOIZFMKCCPFCW-UHFFFAOYSA-N
XLogP0.52
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4,6-diamino-2-ethoxypyridine-3-carbonitrile (CID 13149868) is 4,6-diamino-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4,6-diamino-2-ethoxypyridine-3-carbonitrile is CCOc1nc(N)cc(N)c1C#N.
What is the InChIKey of 4,6-diamino-2-ethoxypyridine-3-carbonitrile?
The InChIKey is DUOIZFMKCCPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-13-8-5(4-9)6(10)3-7(11)12-8/h3H,2H2,1H3,(H4,10,11,12).
What are the key properties of 4,6-diamino-2-ethoxypyridine-3-carbonitrile?
4,6-diamino-2-ethoxypyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 13149868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).