1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one

C18H21FN4O2 — CID 94432773

IUPAC1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
SMILESO=C(CCCNc1ncccn1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c19-15-6-4-14(5-7-15)16-13-23(11-12-25-16)17(24)3-1-8-20-18-21-9-2-10-22-18/h2,4-7,9-10,16H,1,3,8,11-13H2,(H,20,21,22)/t16-/m0/s1
InChIKeyWDQPCNRVAMHGSU-INIZCTEOSA-N
MW344.39 g/mol
LogP2.41
Rot. Bonds6

About 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one

1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one (PubChem CID 94432773) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
PubChem CID94432773
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
SMILESO=C(CCCNc1ncccn1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c19-15-6-4-14(5-7-15)16-13-23(11-12-25-16)17(24)3-1-8-20-18-21-9-2-10-22-18/h2,4-7,9-10,16H,1,3,8,11-13H2,(H,20,21,22)/t16-/m0/s1
InChIKeyWDQPCNRVAMHGSU-INIZCTEOSA-N
XLogP2.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432774
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 95583655
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
The IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one (CID 94432773) is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one is O=C(CCCNc1ncccn1)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
The InChIKey is WDQPCNRVAMHGSU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-6-4-14(5-7-15)16-13-23(11-12-25-16)17(24)3-1-8-20-18-21-9-2-10-22-18/h2,4-7,9-10,16H,1,3,8,11-13H2,(H,20,21,22)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one has a molecular weight of 344.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one is sourced from PubChem (CID 94432773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).