4-(furan-2-yl)pyrimidine-2-carboxylic acid

C9H6N2O3 — CID 82404248

IUPAC4-(furan-2-yl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccco2)n1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-10-4-3-6(11-8)7-2-1-5-14-7/h1-5H,(H,12,13)
InChIKeyNTNYGHSQULFCAR-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.43
Rot. Bonds2

About 4-(furan-2-yl)pyrimidine-2-carboxylic acid

4-(furan-2-yl)pyrimidine-2-carboxylic acid (PubChem CID 82404248) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-(furan-2-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-yl)pyrimidine-2-carboxylic acid
PubChem CID82404248
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name4-(furan-2-yl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccco2)n1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-10-4-3-6(11-8)7-2-1-5-14-7/h1-5H,(H,12,13)
InChIKeyNTNYGHSQULFCAR-UHFFFAOYSA-N
XLogP1.43
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid
CID 172703253
6-(furan-2-yl)pyridine-2-carboxylic acid
CID 24730128
6-(furan-2-yl)-2-methylpyrimidine-4-carboxylic acid
CID 121206884
4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498698
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
4-phenylpyrimidine-2-carboxamide
CID 68541218
4-(2,5-difluorophenyl)pyrimidine-2-carboxylic acid
CID 83919048
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500263
[4-(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 55201038
8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504259

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(furan-2-yl)pyrimidine-2-carboxylic acid (CID 82404248) is 4-(furan-2-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(furan-2-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(furan-2-yl)pyrimidine-2-carboxylic acid is O=C(O)c1nccc(-c2ccco2)n1.
What is the InChIKey of 4-(furan-2-yl)pyrimidine-2-carboxylic acid?
The InChIKey is NTNYGHSQULFCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9(13)8-10-4-3-6(11-8)7-2-1-5-14-7/h1-5H,(H,12,13).
What are the key properties of 4-(furan-2-yl)pyrimidine-2-carboxylic acid?
4-(furan-2-yl)pyrimidine-2-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82404248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).