1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one

C13H20N4O — CID 116979916

IUPAC1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one
SMILESCNCC(C)(C)N1CC(c2ccncc2)NC1=O
InChIInChI=1S/C13H20N4O/c1-13(2,9-14-3)17-8-11(16-12(17)18)10-4-6-15-7-5-10/h4-7,11,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyUITTZCMUYRZRLY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds4

About 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one

1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one (PubChem CID 116979916) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one
PubChem CID116979916
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one
SMILESCNCC(C)(C)N1CC(c2ccncc2)NC1=O
InChIInChI=1S/C13H20N4O/c1-13(2,9-14-3)17-8-11(16-12(17)18)10-4-6-15-7-5-10/h4-7,11,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyUITTZCMUYRZRLY-UHFFFAOYSA-N
XLogP1.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one (CID 116979916) is 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one is CNCC(C)(C)N1CC(c2ccncc2)NC1=O.
What is the InChIKey of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one?
The InChIKey is UITTZCMUYRZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2,9-14-3)17-8-11(16-12(17)18)10-4-6-15-7-5-10/h4-7,11,14H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one?
1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 116979916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).