5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione

C11H17N3O3 — CID 80642843

IUPAC5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC(C)N(C)C)c1=O
InChIInChI=1S/C11H17N3O3/c1-7(13(3)4)6-14-10(16)9(8(2)15)5-12-11(14)17/h5,7H,6H2,1-4H3,(H,12,17)
InChIKeyHYPIPFQNCGWYEH-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.31
Rot. Bonds4

About 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 80642843) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione
PubChem CID80642843
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC(C)N(C)C)c1=O
InChIInChI=1S/C11H17N3O3/c1-7(13(3)4)6-14-10(16)9(8(2)15)5-12-11(14)17/h5,7H,6H2,1-4H3,(H,12,17)
InChIKeyHYPIPFQNCGWYEH-UHFFFAOYSA-N
XLogP-0.31
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione (CID 80642843) is 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CC(C)N(C)C)c1=O.
What is the InChIKey of 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HYPIPFQNCGWYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(13(3)4)6-14-10(16)9(8(2)15)5-12-11(14)17/h5,7H,6H2,1-4H3,(H,12,17).
What are the key properties of 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).