5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione

C12H16N2O4 — CID 99848875

IUPAC5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(C[C@H]2CCOC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N2O4/c1-8(15)10-6-14(5-9-3-4-18-7-9)12(17)13(2)11(10)16/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeySXGROAFWEAXEEL-SECBINFHSA-N
MW252.27 g/mol
LogP-0.21
Rot. Bonds3

About 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione

5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione (PubChem CID 99848875) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione
PubChem CID99848875
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(C[C@H]2CCOC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N2O4/c1-8(15)10-6-14(5-9-3-4-18-7-9)12(17)13(2)11(10)16/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeySXGROAFWEAXEEL-SECBINFHSA-N
XLogP-0.21
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione (CID 99848875) is 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione is CC(=O)c1cn(C[C@H]2CCOC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is SXGROAFWEAXEEL-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(15)10-6-14(5-9-3-4-18-7-9)12(17)13(2)11(10)16/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 99848875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).