4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid

C7H3ClN2O2S — CID 22603621

IUPAC4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H3ClN2O2S/c8-6-5-3(9-2-10-6)1-4(13-5)7(11)12/h1-2H,(H,11,12)
InChIKeyAPAYWGOJUNTPCI-UHFFFAOYSA-N
MW214.63 g/mol
LogP2.04
Rot. Bonds1

About 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid

4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 22603621) has the molecular formula C7H3ClN2O2S and a molecular weight of 214.63 g/mol. Its IUPAC name is 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID22603621
Molecular FormulaC7H3ClN2O2S
Molecular Weight214.63 g/mol
Exact Mass213.96
IUPAC Name4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H3ClN2O2S/c8-6-5-3(9-2-10-6)1-4(13-5)7(11)12/h1-2H,(H,11,12)
InChIKeyAPAYWGOJUNTPCI-UHFFFAOYSA-N
XLogP2.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid (CID 22603621) is 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is APAYWGOJUNTPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O2S/c8-6-5-3(9-2-10-6)1-4(13-5)7(11)12/h1-2H,(H,11,12).
What are the key properties of 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid?
4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 214.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 22603621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).