4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid

C11H8F2N2O2S — CID 62891960

IUPAC4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2cccs2)nc1C(F)F
InChIInChI=1S/C11H8F2N2O2S/c12-10(13)9-7(11(16)17)5-14-8(15-9)4-6-2-1-3-18-6/h1-3,5,10H,4H2,(H,16,17)
InChIKeyLMJYGRFEYSCEIQ-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.76
Rot. Bonds4

About 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid (PubChem CID 62891960) has the molecular formula C11H8F2N2O2S and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
PubChem CID62891960
Molecular FormulaC11H8F2N2O2S
Molecular Weight270.26 g/mol
Exact Mass270.03
IUPAC Name4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2cccs2)nc1C(F)F
InChIInChI=1S/C11H8F2N2O2S/c12-10(13)9-7(11(16)17)5-14-8(15-9)4-6-2-1-3-18-6/h1-3,5,10H,4H2,(H,16,17)
InChIKeyLMJYGRFEYSCEIQ-UHFFFAOYSA-N
XLogP2.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid (CID 62891960) is 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(Cc2cccs2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid?
The InChIKey is LMJYGRFEYSCEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2S/c12-10(13)9-7(11(16)17)5-14-8(15-9)4-6-2-1-3-18-6/h1-3,5,10H,4H2,(H,16,17).
What are the key properties of 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62891960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).