methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate

C15H16N2O4 — CID 115461193

IUPACmethyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C15H16N2O4/c1-16-8-7-13(18)17(15(16)20)10-12-6-4-3-5-11(12)9-14(19)21-2/h3-8H,9-10H2,1-2H3
InChIKeyKYGRYSMYYHTQID-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.31
Rot. Bonds4

About methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate

methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate (PubChem CID 115461193) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate
PubChem CID115461193
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C15H16N2O4/c1-16-8-7-13(18)17(15(16)20)10-12-6-4-3-5-11(12)9-14(19)21-2/h3-8H,9-10H2,1-2H3
InChIKeyKYGRYSMYYHTQID-UHFFFAOYSA-N
XLogP0.31
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate with MolForge

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Related Compounds

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CID 115462844
3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione
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methyl 2-[2-(2-oxopropyl)phenyl]acetate
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methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate
CID 66339527
2-fluoro-3-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 103912262
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
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methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 104859148
3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102974838

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate (CID 115461193) is methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate is COC(=O)Cc1ccccc1Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate?
The InChIKey is KYGRYSMYYHTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16-8-7-13(18)17(15(16)20)10-12-6-4-3-5-11(12)9-14(19)21-2/h3-8H,9-10H2,1-2H3.
What are the key properties of methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate?
methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate has a molecular weight of 288.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 115461193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).