(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one

C17H19N3O2S — CID 42345635

IUPAC(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
SMILESC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)N1CCOCC1
InChIInChI=1S/C17H19N3O2S/c1-13(17(21)20-7-9-22-10-8-20)23-16-11-15(18-12-19-16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3/t13-/m1/s1
InChIKeyHGSYRQJTSLJHLZ-CYBMUJFWSA-N
MW329.43 g/mol
LogP2.48
Rot. Bonds4

About (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one

(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one (PubChem CID 42345635) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
PubChem CID42345635
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
SMILESC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)N1CCOCC1
InChIInChI=1S/C17H19N3O2S/c1-13(17(21)20-7-9-22-10-8-20)23-16-11-15(18-12-19-16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3/t13-/m1/s1
InChIKeyHGSYRQJTSLJHLZ-CYBMUJFWSA-N
XLogP2.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304873
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16506691
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 42900311
(2S)-N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42353248
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16514734
3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one
CID 133365697
1-(azepan-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 46620621
(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 94797380
1,3-diethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one
CID 46304851
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42345603
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059

Frequently Asked Questions

What is the IUPAC name of (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one?
The IUPAC name of (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one (CID 42345635) is (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one?
The canonical SMILES for (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one is C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one?
The InChIKey is HGSYRQJTSLJHLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13(17(21)20-7-9-22-10-8-20)23-16-11-15(18-12-19-16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one?
(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one has a molecular weight of 329.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one is sourced from PubChem (CID 42345635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).