1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one

C19H24N4O2 — CID 95583655

IUPAC1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
SMILESC[C@@H]1CN(C(=O)CCCNc2ncccn2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H24N4O2/c1-15-13-23(14-17(25-15)16-7-3-2-4-8-16)18(24)9-5-10-20-19-21-11-6-12-22-19/h2-4,6-8,11-12,15,17H,5,9-10,13-14H2,1H3,(H,20,21,22)/t15-,17+/m1/s1
InChIKeyVBTIRQCXSYLYAF-WBVHZDCISA-N
MW340.43 g/mol
LogP2.66
Rot. Bonds6

About 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one

1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one (PubChem CID 95583655) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one.

Molecular Properties

Compound Name1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
PubChem CID95583655
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
SMILESC[C@@H]1CN(C(=O)CCCNc2ncccn2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H24N4O2/c1-15-13-23(14-17(25-15)16-7-3-2-4-8-16)18(24)9-5-10-20-19-21-11-6-12-22-19/h2-4,6-8,11-12,15,17H,5,9-10,13-14H2,1H3,(H,20,21,22)/t15-,17+/m1/s1
InChIKeyVBTIRQCXSYLYAF-WBVHZDCISA-N
XLogP2.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one
CID 47914931
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432774
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432773
1-(1,3-dihydroisoindol-2-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 122156241
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95583708
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 146086488
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95590971
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
The IUPAC name of 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one (CID 95583655) is 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one.
What is the SMILES notation for 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
The canonical SMILES for 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one is C[C@@H]1CN(C(=O)CCCNc2ncccn2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
The InChIKey is VBTIRQCXSYLYAF-WBVHZDCISA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-13-23(14-17(25-15)16-7-3-2-4-8-16)18(24)9-5-10-20-19-21-11-6-12-22-19/h2-4,6-8,11-12,15,17H,5,9-10,13-14H2,1H3,(H,20,21,22)/t15-,17+/m1/s1.
What are the key properties of 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one?
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one is sourced from PubChem (CID 95583655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).