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

C10H8N2O4 — CID 107554648

IUPAC2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCc2ccco2)n1
InChIInChI=1S/C10H8N2O4/c13-9(14)8-3-4-11-10(12-8)16-6-7-2-1-5-15-7/h1-5H,6H2,(H,13,14)
InChIKeyNBUZSEUDFRLOQR-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.35
Rot. Bonds4

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

2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid (PubChem CID 107554648) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
PubChem CID107554648
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCc2ccco2)n1
InChIInChI=1S/C10H8N2O4/c13-9(14)8-3-4-11-10(12-8)16-6-7-2-1-5-15-7/h1-5H,6H2,(H,13,14)
InChIKeyNBUZSEUDFRLOQR-UHFFFAOYSA-N
XLogP1.35
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethoxy)pyrimidine
CID 125483373
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-(furan-2-ylmethoxy)benzoic acid
CID 28604768
3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
CID 63183787
2-but-3-ynoxypyrimidine-4-carboxylic acid
CID 107555077
2-but-3-enoxypyrimidine-4-carboxylic acid
CID 107554637
[2-(furan-2-ylmethoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184642
N-(furan-2-ylmethyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086734
2-(furan-2-ylmethoxy)-5-iodopyrimidine
CID 116649117
2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
CID 107554889
1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone
CID 83120059

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid (CID 107554648) is 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(OCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is NBUZSEUDFRLOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-9(14)8-3-4-11-10(12-8)16-6-7-2-1-5-15-7/h1-5H,6H2,(H,13,14).
What are the key properties of 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid?
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).