2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile

C12H10N4O — CID 95923153

IUPAC2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile
SMILESCc1cc(OCC#N)nc(-c2ccncc2)n1
InChIInChI=1S/C12H10N4O/c1-9-8-11(17-7-4-13)16-12(15-9)10-2-5-14-6-3-10/h2-3,5-6,8H,7H2,1H3
InChIKeyJDANGKGYFLUZDO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.75
Rot. Bonds3

About 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile

2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile (PubChem CID 95923153) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile
PubChem CID95923153
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile
SMILESCc1cc(OCC#N)nc(-c2ccncc2)n1
InChIInChI=1S/C12H10N4O/c1-9-8-11(17-7-4-13)16-12(15-9)10-2-5-14-6-3-10/h2-3,5-6,8H,7H2,1H3
InChIKeyJDANGKGYFLUZDO-UHFFFAOYSA-N
XLogP1.75
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1478442
4-Methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 21760780
4-Methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722990
4-[3-(3,5-Dimethylpiperidin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722991
4-Methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
CID 118722992
4-Methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
4-Methyl-6-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722996
4-[3-(4-Ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722997
1-Methyl-4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]-1,4-diazepane
CID 118722998
4-Methyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723001
N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
CID 118723002
N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
CID 118723003

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile?
The IUPAC name of 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile (CID 95923153) is 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile.
What is the SMILES notation for 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile?
The canonical SMILES for 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile is Cc1cc(OCC#N)nc(-c2ccncc2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile?
The InChIKey is JDANGKGYFLUZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-9-8-11(17-7-4-13)16-12(15-9)10-2-5-14-6-3-10/h2-3,5-6,8H,7H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile?
2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetonitrile is sourced from PubChem (CID 95923153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).