5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione

C9H12N2O4 — CID 80643717

IUPAC5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCO)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O4/c1-6(13)7-5-11(3-4-12)9(15)10(2)8(7)14/h5,12H,3-4H2,1-2H3
InChIKeyRBKNNLFCRRZXJF-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.26
Rot. Bonds3

About 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione

5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione (PubChem CID 80643717) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione
PubChem CID80643717
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCO)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O4/c1-6(13)7-5-11(3-4-12)9(15)10(2)8(7)14/h5,12H,3-4H2,1-2H3
InChIKeyRBKNNLFCRRZXJF-UHFFFAOYSA-N
XLogP-1.26
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione (CID 80643717) is 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione is CC(=O)c1cn(CCO)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is RBKNNLFCRRZXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6(13)7-5-11(3-4-12)9(15)10(2)8(7)14/h5,12H,3-4H2,1-2H3.
What are the key properties of 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 212.20 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80643717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).