2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile

C16H13N3OS — CID 9311095

IUPAC2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCc1nc(Oc2ccccc2C#N)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H13N3OS/c1-9-10(2)21-16-14(9)15(18-11(3)19-16)20-13-7-5-4-6-12(13)8-17/h4-7H,1-3H3
InChIKeyAJMIRIMLRSBDAW-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile

2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (PubChem CID 9311095) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
PubChem CID9311095
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCc1nc(Oc2ccccc2C#N)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H13N3OS/c1-9-10(2)21-16-14(9)15(18-11(3)19-16)20-13-7-5-4-6-12(13)8-17/h4-7H,1-3H3
InChIKeyAJMIRIMLRSBDAW-UHFFFAOYSA-N
XLogP4.28
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 9327147
3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9195351
ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 9251221
2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109097
2-[4-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethylamino]phenoxy]benzonitrile
CID 47486377
2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
CID 80862632
2-(2-cyanophenoxy)benzonitrile
CID 13435570
[4-(4-cyano-2-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9195355
N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 9283471
2-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80988463
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 133391513
2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile
CID 71111941

Frequently Asked Questions

What is the IUPAC name of 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (CID 9311095) is 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is Cc1nc(Oc2ccccc2C#N)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The InChIKey is AJMIRIMLRSBDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-9-10(2)21-16-14(9)15(18-11(3)19-16)20-13-7-5-4-6-12(13)8-17/h4-7H,1-3H3.
What are the key properties of 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile has a molecular weight of 295.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 9311095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).