5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione

C11H14BrN3O4 — CID 38112476

IUPAC5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCOCC2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C11H14BrN3O4/c1-13-8(7(12)9(16)14(2)11(13)18)10(17)15-3-5-19-6-4-15/h3-6H2,1-2H3
InChIKeyGYKBHCOCFKWABC-UHFFFAOYSA-N
MW332.15 g/mol
LogP-0.68
Rot. Bonds1

About 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione

5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione (PubChem CID 38112476) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione
PubChem CID38112476
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCOCC2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C11H14BrN3O4/c1-13-8(7(12)9(16)14(2)11(13)18)10(17)15-3-5-19-6-4-15/h3-6H2,1-2H3
InChIKeyGYKBHCOCFKWABC-UHFFFAOYSA-N
XLogP-0.68
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione (CID 38112476) is 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione is Cn1c(C(=O)N2CCOCC2)c(Br)c(=O)n(C)c1=O.
What is the InChIKey of 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
The InChIKey is GYKBHCOCFKWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c1-13-8(7(12)9(16)14(2)11(13)18)10(17)15-3-5-19-6-4-15/h3-6H2,1-2H3.
What are the key properties of 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione has a molecular weight of 332.15 g/mol, XLogP of -0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-6-(morpholine-4-carbonyl)pyrimidine-2,4-dione is sourced from PubChem (CID 38112476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).