5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid

C12H13N3O2S — CID 6487613

IUPAC5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N3CCCC3)c12
InChIInChI=1S/C12H13N3O2S/c1-7-8-10(15-4-2-3-5-15)13-6-14-11(8)18-9(7)12(16)17/h6H,2-5H2,1H3,(H,16,17)
InChIKeyIXHQYTOUJDGZKV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.30
Rot. Bonds2

About 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 6487613) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID6487613
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N3CCCC3)c12
InChIInChI=1S/C12H13N3O2S/c1-7-8-10(15-4-2-3-5-15)13-6-14-11(8)18-9(7)12(16)17/h6H,2-5H2,1H3,(H,16,17)
InChIKeyIXHQYTOUJDGZKV-UHFFFAOYSA-N
XLogP2.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 6487613) is 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(N3CCCC3)c12.
What is the InChIKey of 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is IXHQYTOUJDGZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-8-10(15-4-2-3-5-15)13-6-14-11(8)18-9(7)12(16)17/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 6487613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).