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

C12H10N4O — CID 80862632

IUPAC2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1nc(N)cc(Oc2ccccc2C#N)n1
InChIInChI=1S/C12H10N4O/c1-8-15-11(14)6-12(16-8)17-10-5-3-2-4-9(10)7-13/h2-6H,1H3,(H2,14,15,16)
InChIKeyKQQQBHKPXLPNJH-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.03
Rot. Bonds2

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

2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 80862632) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
PubChem CID80862632
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1nc(N)cc(Oc2ccccc2C#N)n1
InChIInChI=1S/C12H10N4O/c1-8-15-11(14)6-12(16-8)17-10-5-3-2-4-9(10)7-13/h2-6H,1H3,(H2,14,15,16)
InChIKeyKQQQBHKPXLPNJH-UHFFFAOYSA-N
XLogP2.03
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile (CID 80862632) is 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile is Cc1nc(N)cc(Oc2ccccc2C#N)n1.
What is the InChIKey of 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is KQQQBHKPXLPNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-15-11(14)6-12(16-8)17-10-5-3-2-4-9(10)7-13/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile?
2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 80862632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).