4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid

C8H4F2N2O2S — CID 67970045

IUPAC4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1csc2c(C(F)F)ncnc12
InChIInChI=1S/C8H4F2N2O2S/c9-7(10)5-6-4(11-2-12-5)3(1-15-6)8(13)14/h1-2,7H,(H,13,14)
InChIKeyBLTHTUJVROIXKW-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.33
Rot. Bonds2

About 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid

4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 67970045) has the molecular formula C8H4F2N2O2S and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID67970045
Molecular FormulaC8H4F2N2O2S
Molecular Weight230.19 g/mol
Exact Mass230.00
IUPAC Name4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1csc2c(C(F)F)ncnc12
InChIInChI=1S/C8H4F2N2O2S/c9-7(10)5-6-4(11-2-12-5)3(1-15-6)8(13)14/h1-2,7H,(H,13,14)
InChIKeyBLTHTUJVROIXKW-UHFFFAOYSA-N
XLogP2.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid (CID 67970045) is 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid is O=C(O)c1csc2c(C(F)F)ncnc12.
What is the InChIKey of 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is BLTHTUJVROIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2S/c9-7(10)5-6-4(11-2-12-5)3(1-15-6)8(13)14/h1-2,7H,(H,13,14).
What are the key properties of 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid?
4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 230.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)thieno[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 67970045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).