4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine

C19H25N3O — CID 133379561

IUPAC4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
SMILESCC(C)(C)c1nccc(N2CCOC(C)(c3ccccc3)C2)n1
InChIInChI=1S/C19H25N3O/c1-18(2,3)17-20-11-10-16(21-17)22-12-13-23-19(4,14-22)15-8-6-5-7-9-15/h5-11H,12-14H2,1-4H3
InChIKeyGCCZWLLHEDRXMG-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.53
Rot. Bonds2

About 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine

4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine (PubChem CID 133379561) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
PubChem CID133379561
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
SMILESCC(C)(C)c1nccc(N2CCOC(C)(c3ccccc3)C2)n1
InChIInChI=1S/C19H25N3O/c1-18(2,3)17-20-11-10-16(21-17)22-12-13-23-19(4,14-22)15-8-6-5-7-9-15/h5-11H,12-14H2,1-4H3
InChIKeyGCCZWLLHEDRXMG-UHFFFAOYSA-N
XLogP3.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 133491418
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 133333986
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420103
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133410916
9-(2-tert-butylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 126806735
4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133379442
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine?
The IUPAC name of 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine (CID 133379561) is 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine is CC(C)(C)c1nccc(N2CCOC(C)(c3ccccc3)C2)n1.
What is the InChIKey of 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine?
The InChIKey is GCCZWLLHEDRXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-18(2,3)17-20-11-10-16(21-17)22-12-13-23-19(4,14-22)15-8-6-5-7-9-15/h5-11H,12-14H2,1-4H3.
What are the key properties of 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine?
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine has a molecular weight of 311.43 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine is sourced from PubChem (CID 133379561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).