[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone

C16H16ClN3O3 — CID 95197408

IUPAC[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
SMILESCOc1ncc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C16H16ClN3O3/c1-22-16-18-8-12(9-19-16)15(21)20-6-7-23-14(10-20)11-2-4-13(17)5-3-11/h2-5,8-9,14H,6-7,10H2,1H3/t14-/m0/s1
InChIKeyYVORUPCDFQAOCM-AWEZNQCLSA-N
MW333.78 g/mol
LogP2.35
Rot. Bonds3

About [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone

[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone (PubChem CID 95197408) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
PubChem CID95197408
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
SMILESCOc1ncc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C16H16ClN3O3/c1-22-16-18-8-12(9-19-16)15(21)20-6-7-23-14(10-20)11-2-4-13(17)5-3-11/h2-5,8-9,14H,6-7,10H2,1H3/t14-/m0/s1
InChIKeyYVORUPCDFQAOCM-AWEZNQCLSA-N
XLogP2.35
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
CID 95208918
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
CID 95217867
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
6-[(2S)-4-(4-chlorobenzoyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847945
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone?
The IUPAC name of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone (CID 95197408) is [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone is COc1ncc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone?
The InChIKey is YVORUPCDFQAOCM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-22-16-18-8-12(9-19-16)15(21)20-6-7-23-14(10-20)11-2-4-13(17)5-3-11/h2-5,8-9,14H,6-7,10H2,1H3/t14-/m0/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone?
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone has a molecular weight of 333.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone is sourced from PubChem (CID 95197408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).