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

C18H24N6O2 — CID 110270558

IUPAC3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCCC1c1cc(Nc2cnccn2)nc(C)n1
InChIInChI=1S/C18H24N6O2/c1-13-21-14(11-16(22-13)23-17-12-19-7-8-20-17)15-5-3-4-9-24(15)18(25)6-10-26-2/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21,22,23)
InChIKeyZQANZEQXPVILET-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.41
Rot. Bonds6

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

3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 110270558) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID110270558
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCCC1c1cc(Nc2cnccn2)nc(C)n1
InChIInChI=1S/C18H24N6O2/c1-13-21-14(11-16(22-13)23-17-12-19-7-8-20-17)15-5-3-4-9-24(15)18(25)6-10-26-2/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21,22,23)
InChIKeyZQANZEQXPVILET-UHFFFAOYSA-N
XLogP2.41
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-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-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 95844604
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255904
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 110095459
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
3-methoxy-1-[(2S)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 95843739
2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820602
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
3-methyl-1-[(2S)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 95823756

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 110270558) is 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCCCC1c1cc(Nc2cnccn2)nc(C)n1.
What is the InChIKey of 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ZQANZEQXPVILET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-21-14(11-16(22-13)23-17-12-19-7-8-20-17)15-5-3-4-9-24(15)18(25)6-10-26-2/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21,22,23).
What are the key properties of 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 356.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110270558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).