5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C10H16N2O3 — CID 23875

IUPAC5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-5-6(2)7-8(13)11(3)10(15)12(4)9(7)14/h6-7H,5H2,1-4H3
InChIKeyLXEIFFQUCUFHQP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.70
Rot. Bonds2

About 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 23875) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID23875
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-5-6(2)7-8(13)11(3)10(15)12(4)9(7)14/h6-7H,5H2,1-4H3
InChIKeyLXEIFFQUCUFHQP-UHFFFAOYSA-N
XLogP0.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 139085875
1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione
CID 149320751
1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
CID 74684234
5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 13319083
(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 162923938
3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 71434541
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione
CID 87802390
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione
CID 23422721
sodium;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 173035286
(3S,6R,9S,12R,15S,18R)-3,9,15-tris[(2S)-butan-2-yl]-4,6,10,12,16,18-hexamethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 101346562

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 23875) is 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCC(C)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LXEIFFQUCUFHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-6(2)7-8(13)11(3)10(15)12(4)9(7)14/h6-7H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).