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

C10H11N3S — CID 90891623

IUPAC4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
SMILESc1nc(N2CCCC2)c2sccc2n1
InChIInChI=1S/C10H11N3S/c1-2-5-13(4-1)10-9-8(3-6-14-9)11-7-12-10/h3,6-7H,1-2,4-5H2
InChIKeyFCHKTDZMHWENEO-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.29
Rot. Bonds1

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

4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 90891623) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID90891623
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
SMILESc1nc(N2CCCC2)c2sccc2n1
InChIInChI=1S/C10H11N3S/c1-2-5-13(4-1)10-9-8(3-6-14-9)11-7-12-10/h3,6-7H,1-2,4-5H2
InChIKeyFCHKTDZMHWENEO-UHFFFAOYSA-N
XLogP2.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine (CID 90891623) is 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine is c1nc(N2CCCC2)c2sccc2n1.
What is the InChIKey of 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is FCHKTDZMHWENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-2-5-13(4-1)10-9-8(3-6-14-9)11-7-12-10/h3,6-7H,1-2,4-5H2.
What are the key properties of 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 205.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 90891623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).