1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C15H19N3O3 — CID 115949033

IUPAC1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCc1cccnc1CN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C15H19N3O3/c1-4-10-6-5-7-16-11(10)8-18-14(20)12(9(2)3)13(19)17-15(18)21/h5-7,9,12H,4,8H2,1-3H3,(H,17,19,21)
InChIKeyHMZCJVRTBZGWPO-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.49
Rot. Bonds4

About 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 115949033) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID115949033
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCc1cccnc1CN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C15H19N3O3/c1-4-10-6-5-7-16-11(10)8-18-14(20)12(9(2)3)13(19)17-15(18)21/h5-7,9,12H,4,8H2,1-3H3,(H,17,19,21)
InChIKeyHMZCJVRTBZGWPO-UHFFFAOYSA-N
XLogP1.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.49
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-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 115949033) is 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CCc1cccnc1CN1C(=O)NC(=O)C(C(C)C)C1=O.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is HMZCJVRTBZGWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-10-6-5-7-16-11(10)8-18-14(20)12(9(2)3)13(19)17-15(18)21/h5-7,9,12H,4,8H2,1-3H3,(H,17,19,21).
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 289.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115949033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).