2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate

C12H19N3O4 — CID 142628379

IUPAC2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate
SMILESCC(=O)NC1NC(C)=C(CCOC(C)=O)C(=O)N1C
InChIInChI=1S/C12H19N3O4/c1-7-10(5-6-19-9(3)17)11(18)15(4)12(13-7)14-8(2)16/h12-13H,5-6H2,1-4H3,(H,14,16)
InChIKeyFNRGUMDBRNADFP-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.31
Rot. Bonds4

About 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate

2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate (PubChem CID 142628379) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate
PubChem CID142628379
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate
SMILESCC(=O)NC1NC(C)=C(CCOC(C)=O)C(=O)N1C
InChIInChI=1S/C12H19N3O4/c1-7-10(5-6-19-9(3)17)11(18)15(4)12(13-7)14-8(2)16/h12-13H,5-6H2,1-4H3,(H,14,16)
InChIKeyFNRGUMDBRNADFP-UHFFFAOYSA-N
XLogP-0.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate?
The IUPAC name of 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate (CID 142628379) is 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate?
The canonical SMILES for 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate is CC(=O)NC1NC(C)=C(CCOC(C)=O)C(=O)N1C.
What is the InChIKey of 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate?
The InChIKey is FNRGUMDBRNADFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-10(5-6-19-9(3)17)11(18)15(4)12(13-7)14-8(2)16/h12-13H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate?
2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate has a molecular weight of 269.30 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate is sourced from PubChem (CID 142628379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).