5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine

C11H17BrN4O — CID 79089179

IUPAC5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CN(C)CCO2)ncc1Br
InChIInChI=1S/C11H17BrN4O/c1-3-13-10-8(12)6-14-11(15-10)9-7-16(2)4-5-17-9/h6,9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyGGXLXXTUOYSFSC-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.67
Rot. Bonds3

About 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine (PubChem CID 79089179) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
PubChem CID79089179
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CN(C)CCO2)ncc1Br
InChIInChI=1S/C11H17BrN4O/c1-3-13-10-8(12)6-14-11(15-10)9-7-16(2)4-5-17-9/h6,9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyGGXLXXTUOYSFSC-UHFFFAOYSA-N
XLogP1.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine (CID 79089179) is 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine is CCNc1nc(C2CN(C)CCO2)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
The InChIKey is GGXLXXTUOYSFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-3-13-10-8(12)6-14-11(15-10)9-7-16(2)4-5-17-9/h6,9H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine has a molecular weight of 301.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79089179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).