4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide

C11H15BrN4O3 — CID 166600832

IUPAC4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2ncc(Br)c(OC)n2)CCO1
InChIInChI=1S/C11H15BrN4O3/c1-13-9(17)8-6-16(3-4-19-8)11-14-5-7(12)10(15-11)18-2/h5,8H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyWXRXUOQFWFOUEX-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.20
Rot. Bonds3

About 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide

4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide (PubChem CID 166600832) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide
PubChem CID166600832
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2ncc(Br)c(OC)n2)CCO1
InChIInChI=1S/C11H15BrN4O3/c1-13-9(17)8-6-16(3-4-19-8)11-14-5-7(12)10(15-11)18-2/h5,8H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyWXRXUOQFWFOUEX-UHFFFAOYSA-N
XLogP0.20
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide (CID 166600832) is 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(c2ncc(Br)c(OC)n2)CCO1.
What is the InChIKey of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide?
The InChIKey is WXRXUOQFWFOUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c1-13-9(17)8-6-16(3-4-19-8)11-14-5-7(12)10(15-11)18-2/h5,8H,3-4,6H2,1-2H3,(H,13,17).
What are the key properties of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide?
4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 166600832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).