1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione

C14H24N2O3 — CID 21349704

IUPAC1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione
SMILESCCC1OC(N2C(=O)NC(=O)C(C)(C)C2C)CC1C
InChIInChI=1S/C14H24N2O3/c1-6-10-8(2)7-11(19-10)16-9(3)14(4,5)12(17)15-13(16)18/h8-11H,6-7H2,1-5H3,(H,15,17,18)
InChIKeyPGZXTMQASXDQHM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione

1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione (PubChem CID 21349704) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione
PubChem CID21349704
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione
SMILESCCC1OC(N2C(=O)NC(=O)C(C)(C)C2C)CC1C
InChIInChI=1S/C14H24N2O3/c1-6-10-8(2)7-11(19-10)16-9(3)14(4,5)12(17)15-13(16)18/h8-11H,6-7H2,1-5H3,(H,15,17,18)
InChIKeyPGZXTMQASXDQHM-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

[(2R,3S,5R)-3-hydroxy-5-[(1S,6R)-6-methyl-3,5-dioxo-7-oxa-2,4-diazabicyclo[4.1.0]heptan-2-yl]oxolan-2-yl]methyl acetate
CID 10494427
(2S,3R,5S)-5-chloro-2-ethyl-3-methyloxolane;1-[(2S,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 158590452
4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59475669
sodium;6-amino-3-[(2R)-5-ethyl-4-methyloxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;6-amino-3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;methanol;methanolate
CID 158552302
(2R)-5-chloro-2-ethyl-3-methyloxolane
CID 59969008
methyl 2-[[[3-azido-5-(5,5,6-trimethyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-methanethioylphosphoryl]amino]propanoate
CID 22898373
[(2R,3S,5R)-2-(hydroxymethyl)-5-[(6R)-6-methyl-3,5-dioxo-7-oxa-2,4-diazabicyclo[4.1.0]heptan-2-yl]oxolan-3-yl] acetate
CID 100950516
5-ethyl-4-methyloxolane-2-carboxylic acid
CID 130663855
[3-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]-methylborinic acid
CID 162268214
(5R,6R)-5-bromo-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
CID 70133379
1-[4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
CID 18401422
(5R,6R)-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-6-methoxy-1,3-diazinane-2,4-dione
CID 10525815

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione (CID 21349704) is 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione is CCC1OC(N2C(=O)NC(=O)C(C)(C)C2C)CC1C.
What is the InChIKey of 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione?
The InChIKey is PGZXTMQASXDQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-10-8(2)7-11(19-10)16-9(3)14(4,5)12(17)15-13(16)18/h8-11H,6-7H2,1-5H3,(H,15,17,18).
What are the key properties of 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione?
1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methyloxolan-2-yl)-5,5,6-trimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 21349704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).