3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile

C14H11N5OS — CID 103336136

IUPAC3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCc1cc2c(Oc3cccc(C#N)c3)nc(NN)nc2s1
InChIInChI=1S/C14H11N5OS/c1-8-5-11-12(17-14(19-16)18-13(11)21-8)20-10-4-2-3-9(6-10)7-15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyDYTGZWBUNFUEMG-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.95
Rot. Bonds3

About 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile

3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (PubChem CID 103336136) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
PubChem CID103336136
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCc1cc2c(Oc3cccc(C#N)c3)nc(NN)nc2s1
InChIInChI=1S/C14H11N5OS/c1-8-5-11-12(17-14(19-16)18-13(11)21-8)20-10-4-2-3-9(6-10)7-15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyDYTGZWBUNFUEMG-UHFFFAOYSA-N
XLogP2.95
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 103331695
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336137
[4-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 103336262
[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336234
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80917818
[4-(4-fluoro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336384
[4-(4-chloro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336203
[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336225
4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331886
(6-methyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336044
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 103336247

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (CID 103336136) is 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is Cc1cc2c(Oc3cccc(C#N)c3)nc(NN)nc2s1.
What is the InChIKey of 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The InChIKey is DYTGZWBUNFUEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-8-5-11-12(17-14(19-16)18-13(11)21-8)20-10-4-2-3-9(6-10)7-15/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile has a molecular weight of 297.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 103336136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).