1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione

C10H18N2O2 — CID 60644562

IUPAC1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-7(2)11-6-5-9(13)12(8(3)4)10(11)14/h7-8H,5-6H2,1-4H3
InChIKeyMQUFHDQXFDFDDI-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.46
Rot. Bonds2

About 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione

1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione (PubChem CID 60644562) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
PubChem CID60644562
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-7(2)11-6-5-9(13)12(8(3)4)10(11)14/h7-8H,5-6H2,1-4H3
InChIKeyMQUFHDQXFDFDDI-UHFFFAOYSA-N
XLogP1.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 60644815
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60837295
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
3-phenyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812854
3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812855
1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
CID 157428700
1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 10608523
4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 171846440
1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine
CID 161254467
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione (CID 60644562) is 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione is CC(C)N1CCC(=O)N(C(C)C)C1=O.
What is the InChIKey of 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
The InChIKey is MQUFHDQXFDFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)11-6-5-9(13)12(8(3)4)10(11)14/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione?
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 60644562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).