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

C13H18BrN3O — CID 104959782

IUPAC(2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(Br)nc(C3CC3)n2)C[C@H](C)O1
InChIInChI=1S/C13H18BrN3O/c1-8-6-17(7-9(2)18-8)12-5-11(14)15-13(16-12)10-3-4-10/h5,8-10H,3-4,6-7H2,1-2H3/t8-,9+
InChIKeyFCWKYKMVDKPDEM-DTORHVGOSA-N
MW312.21 g/mol
LogP2.73
Rot. Bonds2

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

(2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 104959782) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID104959782
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name(2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(Br)nc(C3CC3)n2)C[C@H](C)O1
InChIInChI=1S/C13H18BrN3O/c1-8-6-17(7-9(2)18-8)12-5-11(14)15-13(16-12)10-3-4-10/h5,8-10H,3-4,6-7H2,1-2H3/t8-,9+
InChIKeyFCWKYKMVDKPDEM-DTORHVGOSA-N
XLogP2.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
CID 104961859
4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 171704070
(2R,6R)-4-(2,6-dicyclopropylpyrimidin-4-yl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 138018909
(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine
CID 87428069
2-cyclopropyl-6-(2,6-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80980602
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
4-bromo-2-cyclopropyl-6-methylpyrimidine
CID 112554798
(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 129367907
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
2-cyclopropyl-N-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541814
[2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961889
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine (CID 104959782) is (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2cc(Br)nc(C3CC3)n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is FCWKYKMVDKPDEM-DTORHVGOSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-8-6-17(7-9(2)18-8)12-5-11(14)15-13(16-12)10-3-4-10/h5,8-10H,3-4,6-7H2,1-2H3/t8-,9+.
What are the key properties of (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 312.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 104959782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).