(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine

C16H19BrN2O2 — CID 86702424

IUPAC(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCc1occc1-c1nc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C16H19BrN2O2/c1-10-8-19(9-11(2)21-10)15-5-4-14(17)16(18-15)13-6-7-20-12(13)3/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyFLDVPKUTFCTQCX-PHIMTYICSA-N
MW351.24 g/mol
LogP4.03
Rot. Bonds2

About (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine

(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 86702424) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
PubChem CID86702424
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCc1occc1-c1nc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C16H19BrN2O2/c1-10-8-19(9-11(2)21-10)15-5-4-14(17)16(18-15)13-6-7-20-12(13)3/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyFLDVPKUTFCTQCX-PHIMTYICSA-N
XLogP4.03
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[4-(2-methylfuran-3-yl)pyrimidin-2-yl]morpholine
CID 67513642
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 142717581
(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine
CID 87428069
(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
CID 86702429
(2R,6S)-2,6-dimethyl-4-(6-methyl-2-pyridinyl)morpholine
CID 89468985
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-2,3-diamine
CID 104957756
4-(5-tert-butyl-6-methyl-2-pyridinyl)-2,6-dimethylmorpholine
CID 129268644
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 56888603
(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine
CID 163837665
4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 171704070
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-trimethylstannane
CID 156818112

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine (CID 86702424) is (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine is Cc1occc1-c1nc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Br.
What is the InChIKey of (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is FLDVPKUTFCTQCX-PHIMTYICSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10-8-19(9-11(2)21-10)15-5-4-14(17)16(18-15)13-6-7-20-12(13)3/h4-7,10-11H,8-9H2,1-3H3/t10-,11+.
What are the key properties of (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 351.24 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 86702424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).