5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

C11H17BrN4O — CID 80789451

IUPAC5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C11H17BrN4O/c1-11(2)7-16(4-5-17-11)9-8(12)6-14-10(13-3)15-9/h6H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyHVJKCTVAMIRFFJ-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.90
Rot. Bonds2

About 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 80789451) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
PubChem CID80789451
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C11H17BrN4O/c1-11(2)7-16(4-5-17-11)9-8(12)6-14-10(13-3)15-9/h6H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyHVJKCTVAMIRFFJ-UHFFFAOYSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (CID 80789451) is 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(N2CCOC(C)(C)C2)n1.
What is the InChIKey of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is HVJKCTVAMIRFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-11(2)7-16(4-5-17-11)9-8(12)6-14-10(13-3)15-9/h6H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80789451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).