4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine

C16H26BrN3O — CID 102745055

IUPAC4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2cc(Br)nc(C(C)(C)C)n2)CC(C)(C)O1
InChIInChI=1S/C16H26BrN3O/c1-14(2,3)13-18-11(17)8-12(19-13)20-9-15(4,5)21-16(6,7)10-20/h8H,9-10H2,1-7H3
InChIKeyHKXIGSXDBORNIV-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.93
Rot. Bonds1

About 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine

4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine (PubChem CID 102745055) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
PubChem CID102745055
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2cc(Br)nc(C(C)(C)C)n2)CC(C)(C)O1
InChIInChI=1S/C16H26BrN3O/c1-14(2,3)13-18-11(17)8-12(19-13)20-9-15(4,5)21-16(6,7)10-20/h8H,9-10H2,1-7H3
InChIKeyHKXIGSXDBORNIV-UHFFFAOYSA-N
XLogP3.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891514
1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836980
1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 114082384
(4aR,8aR)-1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727553
2-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-amine
CID 102746664
2-tert-butyl-4-chloro-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 80951390
2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822018
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide
CID 102743945
[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784178
4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine
CID 102745239
4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine
CID 114340982

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine (CID 102745055) is 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine is CC1(C)CN(c2cc(Br)nc(C(C)(C)C)n2)CC(C)(C)O1.
What is the InChIKey of 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The InChIKey is HKXIGSXDBORNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-14(2,3)13-18-11(17)8-12(19-13)20-9-15(4,5)21-16(6,7)10-20/h8H,9-10H2,1-7H3.
What are the key properties of 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine has a molecular weight of 356.31 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).