ethane;1-propyl-1,3-diazinane-2,4,6-trione

C9H16N2O3 — CID 144763381

IUPACethane;1-propyl-1,3-diazinane-2,4,6-trione
SMILESCC.CCCN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H10N2O3.C2H6/c1-2-3-9-6(11)4-5(10)8-7(9)12;1-2/h2-4H2,1H3,(H,8,10,12);1-2H3
InChIKeyDMAAZXSBANSGNE-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.89
Rot. Bonds2

About ethane;1-propyl-1,3-diazinane-2,4,6-trione

ethane;1-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 144763381) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethane;1-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Nameethane;1-propyl-1,3-diazinane-2,4,6-trione
PubChem CID144763381
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethane;1-propyl-1,3-diazinane-2,4,6-trione
SMILESCC.CCCN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H10N2O3.C2H6/c1-2-3-9-6(11)4-5(10)8-7(9)12;1-2/h2-4H2,1H3,(H,8,10,12);1-2H3
InChIKeyDMAAZXSBANSGNE-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hydrouracil, 1-methyl-
CID 237963
1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 75722
1-(Propan-2-yl)-1,3-diazinane-2,4-dione
CID 253730
1,3-Dipropylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 12470916
1-Butyldihydropyrimidine-2,4(1h,3h)-dione
CID 243297
1-sec-butyldihydropyrimidine-2,4(1H,3H)-dione
CID 4339588
Sbb038952
CID 4736903
1,3-Diethylbarbituric acid
CID 122889
1,5-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 151461
1-Ethyl-1,3-diazinane-2,4,6-trione
CID 257087
1-Ethyldihydro-2,4(1H,3H)-pyrimidinedione
CID 4164670
N-hexyl-2,4-dioxo-1,3-diazinane-1-carboxamide
CID 71654823

Frequently Asked Questions

What is the IUPAC name of ethane;1-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of ethane;1-propyl-1,3-diazinane-2,4,6-trione (CID 144763381) is ethane;1-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for ethane;1-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for ethane;1-propyl-1,3-diazinane-2,4,6-trione is CC.CCCN1C(=O)CC(=O)NC1=O.
What is the InChIKey of ethane;1-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DMAAZXSBANSGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.C2H6/c1-2-3-9-6(11)4-5(10)8-7(9)12;1-2/h2-4H2,1H3,(H,8,10,12);1-2H3.
What are the key properties of ethane;1-propyl-1,3-diazinane-2,4,6-trione?
ethane;1-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 200.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 144763381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).