[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

C18H20FN3O2 — CID 95580110

IUPAC[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncncc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O2/c1-12(2)17-15(9-20-11-21-17)18(23)22-7-8-24-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m1/s1
InChIKeySRSSOXKWFOCFHA-MRXNPFEDSA-N
MW329.38 g/mol
LogP2.95
Rot. Bonds3

About [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 95580110) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID95580110
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncncc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O2/c1-12(2)17-15(9-20-11-21-17)18(23)22-7-8-24-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m1/s1
InChIKeySRSSOXKWFOCFHA-MRXNPFEDSA-N
XLogP2.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699
[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 124889015
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 99949308
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94021616
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (CID 95580110) is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is CC(C)c1ncncc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is SRSSOXKWFOCFHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12(2)17-15(9-20-11-21-17)18(23)22-7-8-24-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 329.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95580110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).