1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

C18H24N6O2 — CID 110269587

IUPAC1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1nc(C)cc(Nc2nc(C)cc(C)n2)n1
InChIInChI=1S/C18H24N6O2/c1-11-8-12(2)21-18(20-11)23-15-9-13(3)19-17(22-15)14-6-5-7-24(14)16(25)10-26-4/h8-9,14H,5-7,10H2,1-4H3,(H,19,20,21,22,23)
InChIKeyLVYJXYKGWBZLBP-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 110269587) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID110269587
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1nc(C)cc(Nc2nc(C)cc(C)n2)n1
InChIInChI=1S/C18H24N6O2/c1-11-8-12(2)21-18(20-11)23-15-9-13(3)19-17(22-15)14-6-5-7-24(14)16(25)10-26-4/h8-9,14H,5-7,10H2,1-4H3,(H,19,20,21,22,23)
InChIKeyLVYJXYKGWBZLBP-UHFFFAOYSA-N
XLogP2.25
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-1-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269592
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95842353
1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 95844604
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
1-[2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110256042
1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95821548
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
3-methoxy-1-[(2S)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 95843739
3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 124969009
2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269783
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 95836277

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 110269587) is 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC1c1nc(C)cc(Nc2nc(C)cc(C)n2)n1.
What is the InChIKey of 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is LVYJXYKGWBZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11-8-12(2)21-18(20-11)23-15-9-13(3)19-17(22-15)14-6-5-7-24(14)16(25)10-26-4/h8-9,14H,5-7,10H2,1-4H3,(H,19,20,21,22,23).
What are the key properties of 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 356.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 110269587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).