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

C12H14N4OS — CID 91381427

IUPAC(7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene
SMILESCc1csc2c(/N=N/CC3CCOC3)ncnc12
InChIInChI=1S/C12H14N4OS/c1-8-6-18-11-10(8)13-7-14-12(11)16-15-4-9-2-3-17-5-9/h6-7,9H,2-5H2,1H3/b16-15+
InChIKeyUJUGIUSOZDEWNH-FOCLMDBBSA-N
MW262.34 g/mol
LogP3.12
Rot. Bonds3

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

(7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene (PubChem CID 91381427) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene.

Molecular Properties

Compound Name(7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene
PubChem CID91381427
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene
SMILESCc1csc2c(/N=N/CC3CCOC3)ncnc12
InChIInChI=1S/C12H14N4OS/c1-8-6-18-11-10(8)13-7-14-12(11)16-15-4-9-2-3-17-5-9/h6-7,9H,2-5H2,1H3/b16-15+
InChIKeyUJUGIUSOZDEWNH-FOCLMDBBSA-N
XLogP3.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.12
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-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
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxycyclopentan-1-amine
CID 102687168
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 102686178
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 24765447
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 102686010
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine
CID 96519843
N-methyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172893051
1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone
CID 130943651

Frequently Asked Questions

What is the IUPAC name of (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene?
The IUPAC name of (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene (CID 91381427) is (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene.
What is the SMILES notation for (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene?
The canonical SMILES for (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene is Cc1csc2c(/N=N/CC3CCOC3)ncnc12.
What is the InChIKey of (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene?
The InChIKey is UJUGIUSOZDEWNH-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-6-18-11-10(8)13-7-14-12(11)16-15-4-9-2-3-17-5-9/h6-7,9H,2-5H2,1H3/b16-15+.
What are the key properties of (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene?
(7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene has a molecular weight of 262.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene is sourced from PubChem (CID 91381427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).