methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate

C10H12N2O5 — CID 167264628

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)Cc1c(C(=O)OC)nc(C)[nH]c1=O
InChIInChI=1S/C10H12N2O5/c1-5-11-8(10(15)17-3)6(9(14)12-5)4-7(13)16-2/h4H2,1-3H3,(H,11,12,14)
InChIKeyZXHVSPHVSLTCHL-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.42
Rot. Bonds3

About methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 167264628) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID167264628
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)Cc1c(C(=O)OC)nc(C)[nH]c1=O
InChIInChI=1S/C10H12N2O5/c1-5-11-8(10(15)17-3)6(9(14)12-5)4-7(13)16-2/h4H2,1-3H3,(H,11,12,14)
InChIKeyZXHVSPHVSLTCHL-UHFFFAOYSA-N
XLogP-0.42
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate (CID 167264628) is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate is COC(=O)Cc1c(C(=O)OC)nc(C)[nH]c1=O.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is ZXHVSPHVSLTCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-11-8(10(15)17-3)6(9(14)12-5)4-7(13)16-2/h4H2,1-3H3,(H,11,12,14).
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 240.21 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 167264628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).