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

C11H14N2O3 — CID 80649603

IUPAC5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N2O3/c1-7(14)9-6-13(5-8-3-4-8)11(16)12(2)10(9)15/h6,8H,3-5H2,1-2H3
InChIKeyLOMFBLCGYAAUBK-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.16
Rot. Bonds3

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

5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione (PubChem CID 80649603) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
PubChem CID80649603
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N2O3/c1-7(14)9-6-13(5-8-3-4-8)11(16)12(2)10(9)15/h6,8H,3-5H2,1-2H3
InChIKeyLOMFBLCGYAAUBK-UHFFFAOYSA-N
XLogP0.16
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione (CID 80649603) is 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione is CC(=O)c1cn(CC2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is LOMFBLCGYAAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(14)9-6-13(5-8-3-4-8)11(16)12(2)10(9)15/h6,8H,3-5H2,1-2H3.
What are the key properties of 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80649603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).