(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate

C9H12N2O4 — CID 2843129

IUPAC(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate
SMILESCC(=O)OCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H12N2O4/c1-6(12)15-5-7-4-8(13)11(3)9(14)10(7)2/h4H,5H2,1-3H3
InChIKeyRMSVAMXOKHUJHC-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.85
Rot. Bonds2

About (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate (PubChem CID 2843129) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate
PubChem CID2843129
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate
SMILESCC(=O)OCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H12N2O4/c1-6(12)15-5-7-4-8(13)11(3)9(14)10(7)2/h4H,5H2,1-3H3
InChIKeyRMSVAMXOKHUJHC-UHFFFAOYSA-N
XLogP-0.85
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate?
The IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate (CID 2843129) is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate is CC(=O)OCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate?
The InChIKey is RMSVAMXOKHUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6(12)15-5-7-4-8(13)11(3)9(14)10(7)2/h4H,5H2,1-3H3.
What are the key properties of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate?
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate has a molecular weight of 212.20 g/mol, XLogP of -0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl acetate is sourced from PubChem (CID 2843129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).