2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

C17H22N6O2 — CID 95820268

IUPAC2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1
InChIInChI=1S/C17H22N6O2/c1-12-8-14(21-15-9-18-5-6-19-15)22-17(20-12)13-4-3-7-23(10-13)16(24)11-25-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,19,20,21,22)/t13-/m0/s1
InChIKeyJULNTGNDQAFYCZ-ZDUSSCGKSA-N
MW342.40 g/mol
LogP1.67
Rot. Bonds5

About 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95820268) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID95820268
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1
InChIInChI=1S/C17H22N6O2/c1-12-8-14(21-15-9-18-5-6-19-15)22-17(20-12)13-4-3-7-23(10-13)16(24)11-25-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,19,20,21,22)/t13-/m0/s1
InChIKeyJULNTGNDQAFYCZ-ZDUSSCGKSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820261
2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820312
6-methyl-2-[(3R)-1-methylpiperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820185
2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 155985337
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
2-(methylamino)-1-[(3R)-3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124950261
2-(dimethylamino)-1-[3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094063
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
1-[2-[2-[(3R)-3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834932
6-methyl-2-[(3R)-piperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95816713
2-methoxy-1-[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110248077
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 95820268) is 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is JULNTGNDQAFYCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-8-14(21-15-9-18-5-6-19-15)22-17(20-12)13-4-3-7-23(10-13)16(24)11-25-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,19,20,21,22)/t13-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95820268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).