3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile

C15H10N4S — CID 59278078

IUPAC3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
SMILESC=Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1
InChIInChI=1S/C15H10N4S/c1-2-11-7-12-13(17)18-14(19-15(12)20-11)10-5-3-4-9(6-10)8-16/h2-7H,1H2,(H2,17,18,19)
InChIKeyHXZDDCVYGRHRKJ-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.46
Rot. Bonds2

About 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile

3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile (PubChem CID 59278078) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
PubChem CID59278078
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
SMILESC=Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1
InChIInChI=1S/C15H10N4S/c1-2-11-7-12-13(17)18-14(19-15(12)20-11)10-5-3-4-9(6-10)8-16/h2-7H,1H2,(H2,17,18,19)
InChIKeyHXZDDCVYGRHRKJ-UHFFFAOYSA-N
XLogP3.46
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
The IUPAC name of 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile (CID 59278078) is 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile.
What is the SMILES notation for 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
The canonical SMILES for 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile is C=Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1.
What is the InChIKey of 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
The InChIKey is HXZDDCVYGRHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-2-11-7-12-13(17)18-14(19-15(12)20-11)10-5-3-4-9(6-10)8-16/h2-7H,1H2,(H2,17,18,19).
What are the key properties of 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile is sourced from PubChem (CID 59278078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).