5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione

C14H25N3O2 — CID 3108413

IUPAC5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCCC)CCCC
InChIInChI=1S/C14H25N3O2/c1-5-7-9-14(10-8-6-2)11(15)16(3)13(19)17(4)12(14)18/h15H,5-10H2,1-4H3/b15-11-
InChIKeyAZRNWDVMHZFRAA-PTNGSMBKSA-N
MW267.37 g/mol
LogP2.85
Rot. Bonds6

About 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione

5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 3108413) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID3108413
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCCC)CCCC
InChIInChI=1S/C14H25N3O2/c1-5-7-9-14(10-8-6-2)11(15)16(3)13(19)17(4)12(14)18/h15H,5-10H2,1-4H3/b15-11-
InChIKeyAZRNWDVMHZFRAA-PTNGSMBKSA-N
XLogP2.85
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, 5,5-diethyldihydro-6-imino-1-methyl-
CID 785092
Barbituric acid, 5-butyl-5-ethyl-1-methyl-
CID 20277
5-Sec-butyl-5-ethyl-6-iminodihydro-2,4(1H,3H)-pyrimidinedione
CID 138112059
6-Amino-5-ethyl-5-(1-methylbutyl)-2,4(3H,5H)-pyrimidinedione
CID 138987958
2,4(3H,5H)-Pyrimidinedione,6-amino-5-ethyl-5-propyl-
CID 138111717
6-Imino-5,5-dipropyldihydro-2,4(1H,3H)-pyrimidinedione
CID 138111919
6-Imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
CID 165416593
Dimethyl dibutyl barbiturate
CID 129715437
5,5-dibutyl-6-imino-1-methyldihydro-2,4(1H,3H)-pyrimidinedione
CID 3108412
5,5-Dibutyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 3149437
5,5-Dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride
CID 44827771
5-Ethyl-6-imino-1-methyl-5-propyl-hexahydro-pyrimidine-2,4-dione
CID 593031

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 3108413) is 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione is [H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCCC)CCCC.
What is the InChIKey of 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is AZRNWDVMHZFRAA-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-7-9-14(10-8-6-2)11(15)16(3)13(19)17(4)12(14)18/h15H,5-10H2,1-4H3/b15-11-.
What are the key properties of 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione?
5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3108413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).