4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile

C13H8FN5S — CID 103329290

IUPAC4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2nc(N)nc3sccc23)c(F)c1
InChIInChI=1S/C13H8FN5S/c14-9-5-7(6-15)1-2-10(9)17-11-8-3-4-20-12(8)19-13(16)18-11/h1-5H,(H3,16,17,18,19)
InChIKeyLJRWPZJZUKPNTC-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.03
Rot. Bonds2

About 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile

4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile (PubChem CID 103329290) has the molecular formula C13H8FN5S and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
PubChem CID103329290
Molecular FormulaC13H8FN5S
Molecular Weight285.31 g/mol
Exact Mass285.05
IUPAC Name4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2nc(N)nc3sccc23)c(F)c1
InChIInChI=1S/C13H8FN5S/c14-9-5-7(6-15)1-2-10(9)17-11-8-3-4-20-12(8)19-13(16)18-11/h1-5H,(H3,16,17,18,19)
InChIKeyLJRWPZJZUKPNTC-UHFFFAOYSA-N
XLogP3.03
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801722
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 103335500
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
CID 103327486
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 103331744
4-[(5-aminoisoquinolin-8-yl)amino]-3-fluorobenzonitrile
CID 103138842
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile?
The IUPAC name of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile (CID 103329290) is 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile is N#Cc1ccc(Nc2nc(N)nc3sccc23)c(F)c1.
What is the InChIKey of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile?
The InChIKey is LJRWPZJZUKPNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5S/c14-9-5-7(6-15)1-2-10(9)17-11-8-3-4-20-12(8)19-13(16)18-11/h1-5H,(H3,16,17,18,19).
What are the key properties of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile?
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile has a molecular weight of 285.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile is sourced from PubChem (CID 103329290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).