2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid

C12H12N2O2S2 — CID 66686293

IUPAC2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1sc2c(SCC(=O)O)ncnc2c1C1CC1
InChIInChI=1S/C12H12N2O2S2/c1-6-9(7-2-3-7)10-11(18-6)12(14-5-13-10)17-4-8(15)16/h5,7H,2-4H2,1H3,(H,15,16)
InChIKeyZWZXFAFCRNTNAA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.05
Rot. Bonds4

About 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid

2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 66686293) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID66686293
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1sc2c(SCC(=O)O)ncnc2c1C1CC1
InChIInChI=1S/C12H12N2O2S2/c1-6-9(7-2-3-7)10-11(18-6)12(14-5-13-10)17-4-8(15)16/h5,7H,2-4H2,1H3,(H,15,16)
InChIKeyZWZXFAFCRNTNAA-UHFFFAOYSA-N
XLogP3.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid (CID 66686293) is 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid is Cc1sc2c(SCC(=O)O)ncnc2c1C1CC1.
What is the InChIKey of 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is ZWZXFAFCRNTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-6-9(7-2-3-7)10-11(18-6)12(14-5-13-10)17-4-8(15)16/h5,7H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 280.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 66686293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).