methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate

C11H10N2O5 — CID 10125264

IUPACmethyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(C)c(=O)[nH]c2=O)o1
InChIInChI=1S/C11H10N2O5/c1-6-5-13(11(16)12-9(6)14)8-4-3-7(18-8)10(15)17-2/h3-5H,1-2H3,(H,12,14,16)
InChIKeyRCMPWKDINYQFCY-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.21
Rot. Bonds2

About methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate

methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate (PubChem CID 10125264) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate
PubChem CID10125264
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Namemethyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(C)c(=O)[nH]c2=O)o1
InChIInChI=1S/C11H10N2O5/c1-6-5-13(11(16)12-9(6)14)8-4-3-7(18-8)10(15)17-2/h3-5H,1-2H3,(H,12,14,16)
InChIKeyRCMPWKDINYQFCY-UHFFFAOYSA-N
XLogP0.21
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-(2-methoxycarbonylfuryl)-
CID 35757
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2350896
Methyl 5-[(cyclopropylcarbonyl)amino]-2-furoate
CID 2767879
Ethyl 5-acetamido-2-furoate
CID 101243
[5-(5-Methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]methyl dihydrogen phosphate
CID 44324033
Diethyl 2-[[(5-methoxycarbonylfuran-2-yl)amino]methylidene]propanedioate
CID 2807392
Methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate
CID 394465
Methyl 5-[(1-methylpiperidin-4-yl)amino]furan-2-carboxylate
CID 121553201
[5-[[azido(formyl)carbamoyl]-[(Z)-2-fluorobut-1-enyl]amino]furan-2-yl]methyl 2-methyl-2-sulfanylpropanoate
CID 142811455
Methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate
CID 101198759
Ethyl 5-(ethoxycarbonylcarbamothioylamino)furan-2-carboxylate
CID 12436878
5-(4-Oxo-1-pyridinyl)furan-2-carboxylic acid
CID 19788549

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate (CID 10125264) is methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate is COC(=O)c1ccc(-n2cc(C)c(=O)[nH]c2=O)o1.
What is the InChIKey of methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate?
The InChIKey is RCMPWKDINYQFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-6-5-13(11(16)12-9(6)14)8-4-3-7(18-8)10(15)17-2/h3-5H,1-2H3,(H,12,14,16).
What are the key properties of methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate?
methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-carboxylate is sourced from PubChem (CID 10125264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).