[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone

C17H21N3O2S — CID 125022866

IUPAC[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCc1nccc([C@H]2CN(C(=O)c3csc(C(C)C)c3)CCO2)n1
InChIInChI=1S/C17H21N3O2S/c1-11(2)16-8-13(10-23-16)17(21)20-6-7-22-15(9-20)14-4-5-18-12(3)19-14/h4-5,8,10-11,15H,6-7,9H2,1-3H3/t15-/m1/s1
InChIKeyYTOPTEABDFQFQW-OAHLLOKOSA-N
MW331.44 g/mol
LogP3.18
Rot. Bonds3

About [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone

[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 125022866) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID125022866
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCc1nccc([C@H]2CN(C(=O)c3csc(C(C)C)c3)CCO2)n1
InChIInChI=1S/C17H21N3O2S/c1-11(2)16-8-13(10-23-16)17(21)20-6-7-22-15(9-20)14-4-5-18-12(3)19-14/h4-5,8,10-11,15H,6-7,9H2,1-3H3/t15-/m1/s1
InChIKeyYTOPTEABDFQFQW-OAHLLOKOSA-N
XLogP3.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022865
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125009284
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110115882

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone (CID 125022866) is [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone is Cc1nccc([C@H]2CN(C(=O)c3csc(C(C)C)c3)CCO2)n1.
What is the InChIKey of [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is YTOPTEABDFQFQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)16-8-13(10-23-16)17(21)20-6-7-22-15(9-20)14-4-5-18-12(3)19-14/h4-5,8,10-11,15H,6-7,9H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 125022866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).