1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one

C13H20N4O — CID 116978803

IUPAC1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one
SMILESCC(C)(CCN)N1CC(c2cccnc2)NC1=O
InChIInChI=1S/C13H20N4O/c1-13(2,5-6-14)17-9-11(16-12(17)18)10-4-3-7-15-8-10/h3-4,7-8,11H,5-6,9,14H2,1-2H3,(H,16,18)
InChIKeyXJNCWBCNGDHGQX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds4

About 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one

1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one (PubChem CID 116978803) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one
PubChem CID116978803
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one
SMILESCC(C)(CCN)N1CC(c2cccnc2)NC1=O
InChIInChI=1S/C13H20N4O/c1-13(2,5-6-14)17-9-11(16-12(17)18)10-4-3-7-15-8-10/h3-4,7-8,11H,5-6,9,14H2,1-2H3,(H,16,18)
InChIKeyXJNCWBCNGDHGQX-UHFFFAOYSA-N
XLogP1.28
TPSA71.25 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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one
CID 116979916
2-(5-pyridin-3-ylpyrazolidin-3-yl)ethanamine
CID 77052319
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 65290350
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 82077424
4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
CID 122360163
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
6-pyridin-3-yldiazinan-3-one
CID 20559353
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
tert-butyl 2-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetate
CID 125482513

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one?
The IUPAC name of 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one (CID 116978803) is 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one is CC(C)(CCN)N1CC(c2cccnc2)NC1=O.
What is the InChIKey of 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one?
The InChIKey is XJNCWBCNGDHGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2,5-6-14)17-9-11(16-12(17)18)10-4-3-7-15-8-10/h3-4,7-8,11H,5-6,9,14H2,1-2H3,(H,16,18).
What are the key properties of 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one?
1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one is sourced from PubChem (CID 116978803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).