(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine

C11H16BrN3O2 — CID 69088090

IUPAC(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
SMILESCOc1nc(N2C[C@@H](C)O[C@@H](C)C2)ncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-7-5-15(6-8(2)17-7)11-13-4-9(12)10(14-11)16-3/h4,7-8H,5-6H2,1-3H3/t7-,8+
InChIKeyHWDKMSQDAXYJEM-OCAPTIKFSA-N
MW302.17 g/mol
LogP1.86
Rot. Bonds2

About (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine

(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine (PubChem CID 69088090) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
PubChem CID69088090
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
SMILESCOc1nc(N2C[C@@H](C)O[C@@H](C)C2)ncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-7-5-15(6-8(2)17-7)11-13-4-9(12)10(14-11)16-3/h4,7-8H,5-6H2,1-3H3/t7-,8+
InChIKeyHWDKMSQDAXYJEM-OCAPTIKFSA-N
XLogP1.86
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine (CID 69088090) is (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine is COc1nc(N2C[C@@H](C)O[C@@H](C)C2)ncc1Br.
What is the InChIKey of (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine?
The InChIKey is HWDKMSQDAXYJEM-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7-5-15(6-8(2)17-7)11-13-4-9(12)10(14-11)16-3/h4,7-8H,5-6H2,1-3H3/t7-,8+.
What are the key properties of (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine?
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine has a molecular weight of 302.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 69088090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).