1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone

C17H22N6O2 — CID 95847712

IUPAC1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](c2cc(NCCc3cnccn3)nc(C)n2)C1
InChIInChI=1S/C17H22N6O2/c1-12-21-15(16-11-23(13(2)24)7-8-25-16)9-17(22-12)20-4-3-14-10-18-5-6-19-14/h5-6,9-10,16H,3-4,7-8,11H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyWCBUMGNCRSAYKC-MRXNPFEDSA-N
MW342.40 g/mol
LogP1.15
Rot. Bonds5

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

1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone (PubChem CID 95847712) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
PubChem CID95847712
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](c2cc(NCCc3cnccn3)nc(C)n2)C1
InChIInChI=1S/C17H22N6O2/c1-12-21-15(16-11-23(13(2)24)7-8-25-16)9-17(22-12)20-4-3-14-10-18-5-6-19-14/h5-6,9-10,16H,3-4,7-8,11H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyWCBUMGNCRSAYKC-MRXNPFEDSA-N
XLogP1.15
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 110271925
1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95846964
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95847596
1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95847719
[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 95847560
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide
CID 175654933
(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 95847621
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
N-(2-methoxyethyl)-2-methyl-6-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 110271353
2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide
CID 110271844

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone (CID 95847712) is 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@@H](c2cc(NCCc3cnccn3)nc(C)n2)C1.
What is the InChIKey of 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The InChIKey is WCBUMGNCRSAYKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-21-15(16-11-23(13(2)24)7-8-25-16)9-17(22-12)20-4-3-14-10-18-5-6-19-14/h5-6,9-10,16H,3-4,7-8,11H2,1-2H3,(H,20,21,22)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 95847712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).