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

C14H13IN4OS — CID 103336225

IUPAC[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(Oc3cccc(I)c3)nc(NN)nc2s1
InChIInChI=1S/C14H13IN4OS/c1-2-10-7-11-12(17-14(19-16)18-13(11)21-10)20-9-5-3-4-8(15)6-9/h3-7H,2,16H2,1H3,(H,17,18,19)
InChIKeyMRINLNAYCNVRRT-UHFFFAOYSA-N
MW412.26 g/mol
LogP3.94
Rot. Bonds4

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

[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336225) has the molecular formula C14H13IN4OS and a molecular weight of 412.26 g/mol. Its IUPAC name is [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336225
Molecular FormulaC14H13IN4OS
Molecular Weight412.26 g/mol
Exact Mass411.99
IUPAC Name[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(Oc3cccc(I)c3)nc(NN)nc2s1
InChIInChI=1S/C14H13IN4OS/c1-2-10-7-11-12(17-14(19-16)18-13(11)21-10)20-9-5-3-4-8(15)6-9/h3-7H,2,16H2,1H3,(H,17,18,19)
InChIKeyMRINLNAYCNVRRT-UHFFFAOYSA-N
XLogP3.94
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.26
LogP ≤ 53.94
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

[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106598874
(4-butan-2-yloxy-6-ethylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336126
[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078
[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336025
3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336136
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80916371
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336234

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336225) is [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is CCc1cc2c(Oc3cccc(I)c3)nc(NN)nc2s1.
What is the InChIKey of [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is MRINLNAYCNVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN4OS/c1-2-10-7-11-12(17-14(19-16)18-13(11)21-10)20-9-5-3-4-8(15)6-9/h3-7H,2,16H2,1H3,(H,17,18,19).
What are the key properties of [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 412.26 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).