1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C15H25N3O3 — CID 115948061

IUPAC1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(CN1CCCC1)CN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)12-13(19)16-15(21)18(14(12)20)9-11(3)8-17-6-4-5-7-17/h10-12H,4-9H2,1-3H3,(H,16,19,21)
InChIKeyLZRFHEXKAVMBCV-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.07
Rot. Bonds5

About 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 115948061) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID115948061
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(CN1CCCC1)CN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)12-13(19)16-15(21)18(14(12)20)9-11(3)8-17-6-4-5-7-17/h10-12H,4-9H2,1-3H3,(H,16,19,21)
InChIKeyLZRFHEXKAVMBCV-UHFFFAOYSA-N
XLogP1.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948114
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948244
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050
N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
CID 112599352
2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83249326
N-[2-methyl-1-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propan-2-yl]methanesulfonamide
CID 115948315
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600409
5-ethyl-2,5-dimethyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254520
5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254350
1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115949033
5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83253710

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 115948061) is 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(CN1CCCC1)CN1C(=O)NC(=O)C(C(C)C)C1=O.
What is the InChIKey of 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is LZRFHEXKAVMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)12-13(19)16-15(21)18(14(12)20)9-11(3)8-17-6-4-5-7-17/h10-12H,4-9H2,1-3H3,(H,16,19,21).
What are the key properties of 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 295.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).