[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone

C15H17N3O2S — CID 124986520

IUPAC[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCO[C@@H](CCc2ccncn2)C1
InChIInChI=1S/C15H17N3O2S/c19-15(14-2-1-9-21-14)18-7-8-20-13(10-18)4-3-12-5-6-16-11-17-12/h1-2,5-6,9,11,13H,3-4,7-8,10H2/t13-/m0/s1
InChIKeyNZCNYQKDQYSHPB-ZDUSSCGKSA-N
MW303.39 g/mol
LogP2.01
Rot. Bonds4

About [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone

[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone (PubChem CID 124986520) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
PubChem CID124986520
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCO[C@@H](CCc2ccncn2)C1
InChIInChI=1S/C15H17N3O2S/c19-15(14-2-1-9-21-14)18-7-8-20-13(10-18)4-3-12-5-6-16-11-17-12/h1-2,5-6,9,11,13H,3-4,7-8,10H2/t13-/m0/s1
InChIKeyNZCNYQKDQYSHPB-ZDUSSCGKSA-N
XLogP2.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
1-benzothiophen-2-yl-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124940586
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116322
(5-methylpyrazin-2-yl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 125018190
(5-methylpyrazin-2-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116321
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116424
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143
[3-(methoxymethyl)phenyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110119032
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
CID 124972560

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone (CID 124986520) is [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCO[C@@H](CCc2ccncn2)C1.
What is the InChIKey of [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is NZCNYQKDQYSHPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(14-2-1-9-21-14)18-7-8-20-13(10-18)4-3-12-5-6-16-11-17-12/h1-2,5-6,9,11,13H,3-4,7-8,10H2/t13-/m0/s1.
What are the key properties of [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 303.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 124986520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).