(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene

C14H13N5S — CID 90924504

IUPAC(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
SMILESCCc1csc2c(/N=N/Cc3cccnc3)ncnc12
InChIInChI=1S/C14H13N5S/c1-2-11-8-20-13-12(11)16-9-17-14(13)19-18-7-10-4-3-5-15-6-10/h3-6,8-9H,2,7H2,1H3/b19-18+
InChIKeyDOJVROJTMIJUDD-VHEBQXMUSA-N
MW283.36 g/mol
LogP3.93
Rot. Bonds4

About (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene

(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene (PubChem CID 90924504) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene.

Molecular Properties

Compound Name(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
PubChem CID90924504
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
SMILESCCc1csc2c(/N=N/Cc3cccnc3)ncnc12
InChIInChI=1S/C14H13N5S/c1-2-11-8-20-13-12(11)16-9-17-14(13)19-18-7-10-4-3-5-15-6-10/h3-6,8-9H,2,7H2,1H3/b19-18+
InChIKeyDOJVROJTMIJUDD-VHEBQXMUSA-N
XLogP3.93
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline
CID 91108299
[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91061860
[6-(3-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91397560
pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
CID 91333738
butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene
CID 91591966
3-ethylpyridine
CID 10823
(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene
CID 91472470
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 53035229
pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
CID 91895686
benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene
CID 91897835
pyridin-3-ylmethanesulfonyl chloride
CID 4658302

Frequently Asked Questions

What is the IUPAC name of (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene?
The IUPAC name of (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene (CID 90924504) is (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene.
What is the SMILES notation for (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene?
The canonical SMILES for (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene is CCc1csc2c(/N=N/Cc3cccnc3)ncnc12.
What is the InChIKey of (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene?
The InChIKey is DOJVROJTMIJUDD-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H13N5S/c1-2-11-8-20-13-12(11)16-9-17-14(13)19-18-7-10-4-3-5-15-6-10/h3-6,8-9H,2,7H2,1H3/b19-18+.
What are the key properties of (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene?
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene has a molecular weight of 283.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene is sourced from PubChem (CID 90924504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).