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

C18H11N5S — CID 70901414

IUPAC3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(-c4ccccn4)sc3n2)c1
InChIInChI=1S/C18H11N5S/c19-10-11-4-3-5-12(8-11)17-22-16(20)13-9-15(24-18(13)23-17)14-6-1-2-7-21-14/h1-9H,(H2,20,22,23)
InChIKeyXJZJPHWGFVLNTJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.87
Rot. Bonds2

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

3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile (PubChem CID 70901414) has the molecular formula C18H11N5S and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
PubChem CID70901414
Molecular FormulaC18H11N5S
Molecular Weight329.39 g/mol
Exact Mass329.07
IUPAC Name3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(-c4ccccn4)sc3n2)c1
InChIInChI=1S/C18H11N5S/c19-10-11-4-3-5-12(8-11)17-22-16(20)13-9-15(24-18(13)23-17)14-6-1-2-7-21-14/h1-9H,(H2,20,22,23)
InChIKeyXJZJPHWGFVLNTJ-UHFFFAOYSA-N
XLogP3.87
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45274636
3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 59278078
3-[4-amino-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45278618
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile
CID 71140568
4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275524
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 159082705
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-[4-amino-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzonitrile
CID 24938750
3-thieno[3,2-c]quinolin-2-ylbenzonitrile
CID 71530393
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
The IUPAC name of 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile (CID 70901414) is 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile.
What is the SMILES notation for 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
The canonical SMILES for 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile is N#Cc1cccc(-c2nc(N)c3cc(-c4ccccn4)sc3n2)c1.
What is the InChIKey of 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
The InChIKey is XJZJPHWGFVLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5S/c19-10-11-4-3-5-12(8-11)17-22-16(20)13-9-15(24-18(13)23-17)14-6-1-2-7-21-14/h1-9H,(H2,20,22,23).
What are the key properties of 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile?
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile has a molecular weight of 329.39 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile is sourced from PubChem (CID 70901414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).