[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine

C13H11IN4OS — CID 103336234

IUPAC[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cc2c(Oc3ccccc3I)nc(NN)nc2s1
InChIInChI=1S/C13H11IN4OS/c1-7-6-8-11(16-13(18-15)17-12(8)20-7)19-10-5-3-2-4-9(10)14/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyOPUGRFFBNOTFDX-UHFFFAOYSA-N
MW398.23 g/mol
LogP3.68
Rot. Bonds3

About [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336234) has the molecular formula C13H11IN4OS and a molecular weight of 398.23 g/mol. Its IUPAC name is [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336234
Molecular FormulaC13H11IN4OS
Molecular Weight398.23 g/mol
Exact Mass397.97
IUPAC Name[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cc2c(Oc3ccccc3I)nc(NN)nc2s1
InChIInChI=1S/C13H11IN4OS/c1-7-6-8-11(16-13(18-15)17-12(8)20-7)19-10-5-3-2-4-9(10)14/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyOPUGRFFBNOTFDX-UHFFFAOYSA-N
XLogP3.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[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-methyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336044
[4-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 103336262
3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336136
2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 103336247
[4-(1-methoxypropan-2-yloxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336311
[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336225
[4-(2-cyclopropylethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106207865
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336016
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762

Frequently Asked Questions

What is the IUPAC name of [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336234) is [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine is Cc1cc2c(Oc3ccccc3I)nc(NN)nc2s1.
What is the InChIKey of [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is OPUGRFFBNOTFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4OS/c1-7-6-8-11(16-13(18-15)17-12(8)20-7)19-10-5-3-2-4-9(10)14/h2-6H,15H2,1H3,(H,16,17,18).
What are the key properties of [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 398.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).