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

C11H13N3S2 — CID 1481008

IUPAC2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
SMILESCSc1nc(N2CCCC2)c2sccc2n1
InChIInChI=1S/C11H13N3S2/c1-15-11-12-8-4-7-16-9(8)10(13-11)14-5-2-3-6-14/h4,7H,2-3,5-6H2,1H3
InChIKeyMVFDLIVJKBMVTM-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.01
Rot. Bonds2

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

2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 1481008) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID1481008
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
SMILESCSc1nc(N2CCCC2)c2sccc2n1
InChIInChI=1S/C11H13N3S2/c1-15-11-12-8-4-7-16-9(8)10(13-11)14-5-2-3-6-14/h4,7H,2-3,5-6H2,1H3
InChIKeyMVFDLIVJKBMVTM-UHFFFAOYSA-N
XLogP3.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine (CID 1481008) is 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine is CSc1nc(N2CCCC2)c2sccc2n1.
What is the InChIKey of 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is MVFDLIVJKBMVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-15-11-12-8-4-7-16-9(8)10(13-11)14-5-2-3-6-14/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine?
2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 251.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 1481008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).