1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine

C13H25N3O3 — CID 161254467

IUPAC1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine
SMILESCC(C)N.CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H16N2O3.C3H9N/c1-6(2)11-8(13)5-9(14)12(7(3)4)10(11)15;1-3(2)4/h6-7H,5H2,1-4H3;3H,4H2,1-2H3
InChIKeyVBSFKDFQNCRWOV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.34
Rot. Bonds2

About 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine

1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine (PubChem CID 161254467) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine
PubChem CID161254467
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine
SMILESCC(C)N.CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H16N2O3.C3H9N/c1-6(2)11-8(13)5-9(14)12(7(3)4)10(11)15;1-3(2)4/h6-7H,5H2,1-4H3;3H,4H2,1-2H3
InChIKeyVBSFKDFQNCRWOV-UHFFFAOYSA-N
XLogP1.34
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine?
The IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine (CID 161254467) is 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine.
What is the SMILES notation for 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine?
The canonical SMILES for 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine is CC(C)N.CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine?
The InChIKey is VBSFKDFQNCRWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3.C3H9N/c1-6(2)11-8(13)5-9(14)12(7(3)4)10(11)15;1-3(2)4/h6-7H,5H2,1-4H3;3H,4H2,1-2H3.
What are the key properties of 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine?
1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine is sourced from PubChem (CID 161254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).