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

C17H15N3O2S — CID 9195351

IUPAC3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H15N3O2S/c1-9-10(2)23-17-15(9)16(19-11(3)20-17)22-13-6-5-12(8-18)7-14(13)21-4/h5-7H,1-4H3
InChIKeyXIOGSYXGEKCQDO-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.29
Rot. Bonds3

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

3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (PubChem CID 9195351) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
PubChem CID9195351
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H15N3O2S/c1-9-10(2)23-17-15(9)16(19-11(3)20-17)22-13-6-5-12(8-18)7-14(13)21-4/h5-7H,1-4H3
InChIKeyXIOGSYXGEKCQDO-UHFFFAOYSA-N
XLogP4.29
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-cyano-2-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9195355
2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9311095
2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
CID 9213194
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502
2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109097
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 103331744
[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9213486
4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 23441640
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
4-(5-chloropentoxy)-3-methoxybenzonitrile
CID 43348380
3-(4-cyano-2-methoxyphenoxy)-6-(4-cyanophenyl)-5-methylpyridazine-4-carboxylic acid
CID 167198596

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (CID 9195351) is 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is COc1cc(C#N)ccc1Oc1nc(C)nc2sc(C)c(C)c12.
What is the InChIKey of 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The InChIKey is XIOGSYXGEKCQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-9-10(2)23-17-15(9)16(19-11(3)20-17)22-13-6-5-12(8-18)7-14(13)21-4/h5-7H,1-4H3.
What are the key properties of 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile has a molecular weight of 325.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 9195351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).