1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione

C10H17N3O3 — CID 10868023

IUPAC1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(C)(NC(C)C)C1=O
InChIInChI=1S/C10H17N3O3/c1-5-13-8(15)10(4,12-6(2)3)7(14)11-9(13)16/h6,12H,5H2,1-4H3,(H,11,14,16)
InChIKeySZVPHMOZOIPTLX-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.16
Rot. Bonds3

About 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione

1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione (PubChem CID 10868023) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
PubChem CID10868023
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(C)(NC(C)C)C1=O
InChIInChI=1S/C10H17N3O3/c1-5-13-8(15)10(4,12-6(2)3)7(14)11-9(13)16/h6,12H,5H2,1-4H3,(H,11,14,16)
InChIKeySZVPHMOZOIPTLX-UHFFFAOYSA-N
XLogP-0.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 6501454
5,5-Dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione
CID 43162333
5,5-Dimethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 137649325
1-Ethyl-5-methyl-5-piperidin-1-yl-1,3-diazinane-2,4,6-trione
CID 341738
5-Isopropylcarbamoyl-5-methylhydantoin
CID 15424939
5-Amino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 264936
Acetamide, N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-
CID 3432545
Tetrahydro-alpha-(1-methylethyl)-2-oxo-1-(2h)-pyrimidineacetamide
CID 106347667
2-Methylpiperazin-diformamid
CID 129889608
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
5-Amino-5-[(dimethylamino)methyl]pyrimidine-2,4,6(1h,3h,5h)-trione
CID 226111
5-(Methylamino)-5,6-dihydrouracil hydrochloride
CID 24199572

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione (CID 10868023) is 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione is CCN1C(=O)NC(=O)C(C)(NC(C)C)C1=O.
What is the InChIKey of 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
The InChIKey is SZVPHMOZOIPTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5-13-8(15)10(4,12-6(2)3)7(14)11-9(13)16/h6,12H,5H2,1-4H3,(H,11,14,16).
What are the key properties of 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione?
1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione has a molecular weight of 227.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 10868023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).