methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate

C10H8N2O5 — CID 135466442

IUPACmethyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)[nH]c(=O)c1O
InChIInChI=1S/C10H8N2O5/c1-16-10(15)6-7(13)9(14)12-8(11-6)5-3-2-4-17-5/h2-4,13H,1H3,(H,11,12,14)
InChIKeyVWBNQHUMVIKFAU-UHFFFAOYSA-N
MW236.18 g/mol
LogP0.52
Rot. Bonds2

About methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate

methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 135466442) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID135466442
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Namemethyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)[nH]c(=O)c1O
InChIInChI=1S/C10H8N2O5/c1-16-10(15)6-7(13)9(14)12-8(11-6)5-3-2-4-17-5/h2-4,13H,1H3,(H,11,12,14)
InChIKeyVWBNQHUMVIKFAU-UHFFFAOYSA-N
XLogP0.52
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate (CID 135466442) is methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccco2)[nH]c(=O)c1O.
What is the InChIKey of methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is VWBNQHUMVIKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c1-16-10(15)6-7(13)9(14)12-8(11-6)5-3-2-4-17-5/h2-4,13H,1H3,(H,11,12,14).
What are the key properties of methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 236.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135466442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).