3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile

C14H10N4OS — CID 102686754

IUPAC3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCc1csc2c(Oc3ccc(C#N)cc3N)ncnc12
InChIInChI=1S/C14H10N4OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-9(5-15)4-10(11)16/h2-4,6-7H,16H2,1H3
InChIKeyVPRSHJMJPRIVGQ-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.25
Rot. Bonds2

About 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile

3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile (PubChem CID 102686754) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
PubChem CID102686754
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
SMILESCc1csc2c(Oc3ccc(C#N)cc3N)ncnc12
InChIInChI=1S/C14H10N4OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-9(5-15)4-10(11)16/h2-4,6-7H,16H2,1H3
InChIKeyVPRSHJMJPRIVGQ-UHFFFAOYSA-N
XLogP3.25
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686774
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112
3-amino-4-[(3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 106876020
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
CID 61313612
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
CID 102687000
4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
3-amino-4-(2,3,5-trimethylphenoxy)benzonitrile
CID 43518303
3-amino-4-pyridazin-3-yloxybenzonitrile
CID 62482847
3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile
CID 55213766
2-(2-amino-4-cyanophenoxy)-3-methylbenzonitrile
CID 107111200

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile (CID 102686754) is 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile is Cc1csc2c(Oc3ccc(C#N)cc3N)ncnc12.
What is the InChIKey of 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile?
The InChIKey is VPRSHJMJPRIVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-9(5-15)4-10(11)16/h2-4,6-7H,16H2,1H3.
What are the key properties of 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile?
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile has a molecular weight of 282.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 102686754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).