2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C16H21N7O — CID 110255904

IUPAC2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC1c1cc(Nc2cnccn2)nc(C)n1
InChIInChI=1S/C16H21N7O/c1-11-20-12(13-4-3-7-23(13)16(24)10-17-2)8-14(21-11)22-15-9-18-5-6-19-15/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3,(H,19,20,21,22)
InChIKeyVFMQLYHFWZEAIK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.20
Rot. Bonds5

About 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110255904) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110255904
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC1c1cc(Nc2cnccn2)nc(C)n1
InChIInChI=1S/C16H21N7O/c1-11-20-12(13-4-3-7-23(13)16(24)10-17-2)8-14(21-11)22-15-9-18-5-6-19-15/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3,(H,19,20,21,22)
InChIKeyVFMQLYHFWZEAIK-UHFFFAOYSA-N
XLogP1.20
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110270558
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265205
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 110256839
2-(methylamino)-1-[(3R)-3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124950261
3-methyl-1-[(2S)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 95823756
2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820602
2-methyl-6-[(2R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95842593
2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 110095459

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110255904) is 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CNCC(=O)N1CCCC1c1cc(Nc2cnccn2)nc(C)n1.
What is the InChIKey of 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is VFMQLYHFWZEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11-20-12(13-4-3-7-23(13)16(24)10-17-2)8-14(21-11)22-15-9-18-5-6-19-15/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3,(H,19,20,21,22).
What are the key properties of 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 327.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110255904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).