5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione

C18H27N3O3 — CID 167952924

IUPAC5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCCOc1ncccc1CN1C(=O)NCC(CC(C)(C)C)C1=O
InChIInChI=1S/C18H27N3O3/c1-5-9-24-15-13(7-6-8-19-15)12-21-16(22)14(10-18(2,3)4)11-20-17(21)23/h6-8,14H,5,9-12H2,1-4H3,(H,20,23)
InChIKeyLOZIDIYSLFTBCE-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.97
Rot. Bonds6

About 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione

5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 167952924) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID167952924
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCCOc1ncccc1CN1C(=O)NCC(CC(C)(C)C)C1=O
InChIInChI=1S/C18H27N3O3/c1-5-9-24-15-13(7-6-8-19-15)12-21-16(22)14(10-18(2,3)4)11-20-17(21)23/h6-8,14H,5,9-12H2,1-4H3,(H,20,23)
InChIKeyLOZIDIYSLFTBCE-UHFFFAOYSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (CID 167952924) is 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is CCCOc1ncccc1CN1C(=O)NCC(CC(C)(C)C)C1=O.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is LOZIDIYSLFTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-5-9-24-15-13(7-6-8-19-15)12-21-16(22)14(10-18(2,3)4)11-20-17(21)23/h6-8,14H,5,9-12H2,1-4H3,(H,20,23).
What are the key properties of 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 333.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167952924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).