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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Related Compounds

3-[4-amino-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45278618
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45274636
3-[4-amino-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzonitrile
CID 24938750
4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275524
2-ethenyl-1-benzothiophene-6-carbonitrile
CID 67876465
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
2-(3-ethynylphenyl)quinazolin-4-amine
CID 141438841
3-[4-[3-[4-amino-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]anilino]-6-[hydroxy-(2-piperidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 91279894
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-[4-amino-6-(morpholine-4-carbonyl)thieno[2,3-d]pyrimidin-2-yl]-N-methylbenzonitrilium
CID 90980361
3-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5,6-bis(ethenyl)pyrazin-2-yl]phenyl]benzonitrile
CID 153354898

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).