butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene

C11H14N4S — CID 91591966

IUPACbutyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene
SMILESCCCC/N=N/c1ncnc2c(C)csc12
InChIInChI=1S/C11H14N4S/c1-3-4-5-14-15-11-10-9(12-7-13-11)8(2)6-16-10/h6-7H,3-5H2,1-2H3/b15-14+
InChIKeyWKRPVBUBKHODGO-CCEZHUSRSA-N
MW234.33 g/mol
LogP3.88
Rot. Bonds4

About butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene

butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene (PubChem CID 91591966) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene.

Molecular Properties

Compound Namebutyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene
PubChem CID91591966
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Namebutyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene
SMILESCCCC/N=N/c1ncnc2c(C)csc12
InChIInChI=1S/C11H14N4S/c1-3-4-5-14-15-11-10-9(12-7-13-11)8(2)6-16-10/h6-7H,3-5H2,1-2H3/b15-14+
InChIKeyWKRPVBUBKHODGO-CCEZHUSRSA-N
XLogP3.88
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 90936081
2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 90967645
(7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene
CID 91381427
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)ethanamine
CID 102687222
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686687
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
CID 90924504
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714

Frequently Asked Questions

What is the IUPAC name of butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene?
The IUPAC name of butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene (CID 91591966) is butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene.
What is the SMILES notation for butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene?
The canonical SMILES for butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene is CCCC/N=N/c1ncnc2c(C)csc12.
What is the InChIKey of butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene?
The InChIKey is WKRPVBUBKHODGO-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-4-5-14-15-11-10-9(12-7-13-11)8(2)6-16-10/h6-7H,3-5H2,1-2H3/b15-14+.
What are the key properties of butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene?
butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene has a molecular weight of 234.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene is sourced from PubChem (CID 91591966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).