methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate

C10H14N2O4 — CID 2748608

IUPACmethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O4/c1-11-6-7(4-5-8(13)16-3)9(14)12(2)10(11)15/h6H,4-5H2,1-3H3
InChIKeyGQJQWKGFWJGTEP-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.81
Rot. Bonds3

About methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate

methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate (PubChem CID 2748608) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate
PubChem CID2748608
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O4/c1-11-6-7(4-5-8(13)16-3)9(14)12(2)10(11)15/h6H,4-5H2,1-3H3
InChIKeyGQJQWKGFWJGTEP-UHFFFAOYSA-N
XLogP-0.81
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate (CID 2748608) is methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate is COC(=O)CCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
The InChIKey is GQJQWKGFWJGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-6-7(4-5-8(13)16-3)9(14)12(2)10(11)15/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate has a molecular weight of 226.23 g/mol, XLogP of -0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate is sourced from PubChem (CID 2748608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).