6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione

C14H22N2O2 — CID 91565196

IUPAC6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione
SMILESCC=c1c(=C(C)C)c(=O)n(C)c(=O)n1CC(C)C
InChIInChI=1S/C14H22N2O2/c1-7-11-12(10(4)5)13(17)15(6)14(18)16(11)8-9(2)3/h7,9H,8H2,1-6H3
InChIKeyBOQMLLFLDZXRIP-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.19
Rot. Bonds2

About 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione

6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione (PubChem CID 91565196) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione
PubChem CID91565196
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione
SMILESCC=c1c(=C(C)C)c(=O)n(C)c(=O)n1CC(C)C
InChIInChI=1S/C14H22N2O2/c1-7-11-12(10(4)5)13(17)15(6)14(18)16(11)8-9(2)3/h7,9H,8H2,1-6H3
InChIKeyBOQMLLFLDZXRIP-UHFFFAOYSA-N
XLogP0.19
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 53400915
1,3,6-Trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione
CID 154253325
5-[2-(Diethylamino)cyclohepta-2,4,6-trien-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 11255506
1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione
CID 102163884
5-Cyclohepta-2,4,6-trien-1-ylidene-1,3-diethyl-1,3-diazinane-2,4,6-trione
CID 101842819
1,3-Dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]pyrimidine-2,4,6-trione
CID 13006968
5-(1-Butyl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 23534360
5-(1-Butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 23534371
5-[(2E,4E)-5-(1,3-diethyl-4-methyl-2,6-dioxopyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
CID 23553982
1,3-dimethyl-5-[(2Z)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione
CID 23588723
5-(2,6-Dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 59097444
1,3-Dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione;ethane
CID 91123212

Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione (CID 91565196) is 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione is CC=c1c(=C(C)C)c(=O)n(C)c(=O)n1CC(C)C.
What is the InChIKey of 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione?
The InChIKey is BOQMLLFLDZXRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-7-11-12(10(4)5)13(17)15(6)14(18)16(11)8-9(2)3/h7,9H,8H2,1-6H3.
What are the key properties of 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione?
6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione has a molecular weight of 250.34 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 91565196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).