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

C11H13N3S — CID 2139595

IUPAC2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC2)c2ccsc2n1
InChIInChI=1S/C11H13N3S/c1-8-12-10(14-5-2-3-6-14)9-4-7-15-11(9)13-8/h4,7H,2-3,5-6H2,1H3
InChIKeyZDZIJQJTIMZWFS-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.60
Rot. Bonds1

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

2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 2139595) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID2139595
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC2)c2ccsc2n1
InChIInChI=1S/C11H13N3S/c1-8-12-10(14-5-2-3-6-14)9-4-7-15-11(9)13-8/h4,7H,2-3,5-6H2,1H3
InChIKeyZDZIJQJTIMZWFS-UHFFFAOYSA-N
XLogP2.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (CID 2139595) is 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is Cc1nc(N2CCCC2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is ZDZIJQJTIMZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-12-10(14-5-2-3-6-14)9-4-7-15-11(9)13-8/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 219.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2139595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).