methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate

C11H10N2O4S — CID 30595455

IUPACmethyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2ccnc(=O)[nH]2)o1
InChIInChI=1S/C11H10N2O4S/c1-16-10(14)8-3-2-7(17-8)6-18-9-4-5-12-11(15)13-9/h2-5H,6H2,1H3,(H,12,13,15)
InChIKeyYZFRKXHSCJUUND-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.44
Rot. Bonds4

About methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate

methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 30595455) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID30595455
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Namemethyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2ccnc(=O)[nH]2)o1
InChIInChI=1S/C11H10N2O4S/c1-16-10(14)8-3-2-7(17-8)6-18-9-4-5-12-11(15)13-9/h2-5H,6H2,1H3,(H,12,13,15)
InChIKeyYZFRKXHSCJUUND-UHFFFAOYSA-N
XLogP1.44
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate (CID 30595455) is methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate is COC(=O)c1ccc(CSc2ccnc(=O)[nH]2)o1.
What is the InChIKey of methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is YZFRKXHSCJUUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-16-10(14)8-3-2-7(17-8)6-18-9-4-5-12-11(15)13-9/h2-5H,6H2,1H3,(H,12,13,15).
What are the key properties of methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate?
methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 266.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-oxo-1H-pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 30595455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).