1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone

C18H23N5O2 — CID 95846964

IUPAC1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](c2cc(NCCc3ccccn3)nc(C)n2)C1
InChIInChI=1S/C18H23N5O2/c1-13-21-16(17-12-23(14(2)24)9-10-25-17)11-18(22-13)20-8-6-15-5-3-4-7-19-15/h3-5,7,11,17H,6,8-10,12H2,1-2H3,(H,20,21,22)/t17-/m0/s1
InChIKeyFWOZTMZJFZNURH-KRWDZBQOSA-N
MW341.42 g/mol
LogP1.75
Rot. Bonds5

About 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone

1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone (PubChem CID 95846964) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
PubChem CID95846964
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](c2cc(NCCc3ccccn3)nc(C)n2)C1
InChIInChI=1S/C18H23N5O2/c1-13-21-16(17-12-23(14(2)24)9-10-25-17)11-18(22-13)20-8-6-15-5-3-4-7-19-15/h3-5,7,11,17H,6,8-10,12H2,1-2H3,(H,20,21,22)/t17-/m0/s1
InChIKeyFWOZTMZJFZNURH-KRWDZBQOSA-N
XLogP1.75
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone 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-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95847712
1-[2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 110271925
1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95847719
N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide
CID 175654933
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 95847560
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95847596
1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-methylpyrimidin-4-yl]morpholin-4-yl]ethanone
CID 124939926
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 71872857
(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 95847621

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone (CID 95846964) is 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@H](c2cc(NCCc3ccccn3)nc(C)n2)C1.
What is the InChIKey of 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The InChIKey is FWOZTMZJFZNURH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-21-16(17-12-23(14(2)24)9-10-25-17)11-18(22-13)20-8-6-15-5-3-4-7-19-15/h3-5,7,11,17H,6,8-10,12H2,1-2H3,(H,20,21,22)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 95846964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).