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

C9H12N2O4 — CID 150346316

IUPAC(5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate
SMILESCCC(=O)OCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-7(12)15-5-11-4-6(2)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14)
InChIKeyGSUASMZAUPQOGP-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.24
Rot. Bonds3

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

(5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate (PubChem CID 150346316) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate.

Molecular Properties

Compound Name(5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate
PubChem CID150346316
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate
SMILESCCC(=O)OCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-7(12)15-5-11-4-6(2)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14)
InChIKeyGSUASMZAUPQOGP-UHFFFAOYSA-N
XLogP-0.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate?
The IUPAC name of (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate (CID 150346316) is (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate.
What is the SMILES notation for (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate?
The canonical SMILES for (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate is CCC(=O)OCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate?
The InChIKey is GSUASMZAUPQOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-7(12)15-5-11-4-6(2)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14).
What are the key properties of (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate?
(5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate has a molecular weight of 212.20 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,4-dioxopyrimidin-1-yl)methyl propanoate is sourced from PubChem (CID 150346316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).