6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine

C18H20N4S — CID 25165203

IUPAC6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3ncnc(NCCN4CCCC4)c3s2)cc1
InChIInChI=1S/C18H20N4S/c1-2-6-14(7-3-1)16-12-15-17(23-16)18(21-13-20-15)19-8-11-22-9-4-5-10-22/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,20,21)
InChIKeyJSEKVGIUANMJHM-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.87
Rot. Bonds5

About 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine

6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 25165203) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID25165203
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3ncnc(NCCN4CCCC4)c3s2)cc1
InChIInChI=1S/C18H20N4S/c1-2-6-14(7-3-1)16-12-15-17(23-16)18(21-13-20-15)19-8-11-22-9-4-5-10-22/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,20,21)
InChIKeyJSEKVGIUANMJHM-UHFFFAOYSA-N
XLogP3.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine (CID 25165203) is 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine is c1ccc(-c2cc3ncnc(NCCN4CCCC4)c3s2)cc1.
What is the InChIKey of 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JSEKVGIUANMJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-6-14(7-3-1)16-12-15-17(23-16)18(21-13-20-15)19-8-11-22-9-4-5-10-22/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,20,21).
What are the key properties of 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25165203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).