2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine

C16H15N3S — CID 3793347

IUPAC2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(N3CCCC3)c3sccc3n2)cc1
InChIInChI=1S/C16H15N3S/c1-2-6-12(7-3-1)15-17-13-8-11-20-14(13)16(18-15)19-9-4-5-10-19/h1-3,6-8,11H,4-5,9-10H2
InChIKeyJSVUYGXICBQQCW-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.96
Rot. Bonds2

About 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine

2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 3793347) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID3793347
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(N3CCCC3)c3sccc3n2)cc1
InChIInChI=1S/C16H15N3S/c1-2-6-12(7-3-1)15-17-13-8-11-20-14(13)16(18-15)19-9-4-5-10-19/h1-3,6-8,11H,4-5,9-10H2
InChIKeyJSVUYGXICBQQCW-UHFFFAOYSA-N
XLogP3.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine (CID 3793347) is 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine is c1ccc(-c2nc(N3CCCC3)c3sccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is JSVUYGXICBQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-6-12(7-3-1)15-17-13-8-11-20-14(13)16(18-15)19-9-4-5-10-19/h1-3,6-8,11H,4-5,9-10H2.
What are the key properties of 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 281.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 3793347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).