(4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone

C11H14BrN3O4 — CID 101405722

IUPAC(4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone
SMILESCOc1nc(Br)c(C(=O)N2CCOCC2)c(OC)n1
InChIInChI=1S/C11H14BrN3O4/c1-17-9-7(8(12)13-11(14-9)18-2)10(16)15-3-5-19-6-4-15/h3-6H2,1-2H3
InChIKeyNMAYEJTWAZWIFL-UHFFFAOYSA-N
MW332.15 g/mol
LogP0.73
Rot. Bonds3

About (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone

(4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone (PubChem CID 101405722) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone
PubChem CID101405722
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name(4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone
SMILESCOc1nc(Br)c(C(=O)N2CCOCC2)c(OC)n1
InChIInChI=1S/C11H14BrN3O4/c1-17-9-7(8(12)13-11(14-9)18-2)10(16)15-3-5-19-6-4-15/h3-6H2,1-2H3
InChIKeyNMAYEJTWAZWIFL-UHFFFAOYSA-N
XLogP0.73
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone (CID 101405722) is (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone is COc1nc(Br)c(C(=O)N2CCOCC2)c(OC)n1.
What is the InChIKey of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone?
The InChIKey is NMAYEJTWAZWIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c1-17-9-7(8(12)13-11(14-9)18-2)10(16)15-3-5-19-6-4-15/h3-6H2,1-2H3.
What are the key properties of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone?
(4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone has a molecular weight of 332.15 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethoxypyrimidin-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 101405722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).