2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile

C7H8N4O — CID 3158769

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile
SMILESCc1cc(OCC#N)nc(N)n1
InChIInChI=1S/C7H8N4O/c1-5-4-6(12-3-2-8)11-7(9)10-5/h4H,3H2,1H3,(H2,9,10,11)
InChIKeyDREDSUDHLUTJTN-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.27
Rot. Bonds2

About 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile

2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile (PubChem CID 3158769) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile
PubChem CID3158769
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile
SMILESCc1cc(OCC#N)nc(N)n1
InChIInChI=1S/C7H8N4O/c1-5-4-6(12-3-2-8)11-7(9)10-5/h4H,3H2,1H3,(H2,9,10,11)
InChIKeyDREDSUDHLUTJTN-UHFFFAOYSA-N
XLogP0.27
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile (CID 3158769) is 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile is Cc1cc(OCC#N)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile?
The InChIKey is DREDSUDHLUTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5-4-6(12-3-2-8)11-7(9)10-5/h4H,3H2,1H3,(H2,9,10,11).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile?
2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile has a molecular weight of 164.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)oxyacetonitrile is sourced from PubChem (CID 3158769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).