4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine

C17H21N3OS — CID 852313

IUPAC4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
SMILESCC(C)Sc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-13(2)22-16-12-15(20-8-10-21-11-9-20)18-17(19-16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyCHYBWYKKCFNXTH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.48
Rot. Bonds4

About 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine

4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine (PubChem CID 852313) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
PubChem CID852313
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
SMILESCC(C)Sc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-13(2)22-16-12-15(20-8-10-21-11-9-20)18-17(19-16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyCHYBWYKKCFNXTH-UHFFFAOYSA-N
XLogP3.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(1-Methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine
CID 71584165
4-(6-((Methylsulfanyl)methyl)-2-phenyl-4-pyrimidinyl)morpholine
CID 1471380
1-(4-Methylsulfanyl-6-morpholin-4-yl-2-phenylpyrimidin-5-yl)ethanone
CID 780203
Methyl (6-morpholino-2-phenyl-4-pyrimidinyl)methyl sulfone
CID 1476679
2-(2-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl methyl sulfide
CID 852304
Ethyl 2-(3-methylphenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852307
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl isopropyl sulfide
CID 852308
Ethyl 2-(4-fluorophenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852309
2-(4-Fluorophenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl isopropyl sulfide
CID 852310
Ethyl 2-(4-methylphenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852311
Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852314
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl ethyl sulfide
CID 852318

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine (CID 852313) is 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine is CC(C)Sc1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
The InChIKey is CHYBWYKKCFNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13(2)22-16-12-15(20-8-10-21-11-9-20)18-17(19-16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine has a molecular weight of 315.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 852313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).