1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione

C13H17N3O2 — CID 176558358

IUPAC1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
SMILESCc1ncc(C(C)C)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O2/c1-8(2)10-6-11(9(3)14-7-10)16-5-4-12(17)15-13(16)18/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyWREXJVOEHOGOJY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione

1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione (PubChem CID 176558358) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
PubChem CID176558358
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
SMILESCc1ncc(C(C)C)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O2/c1-8(2)10-6-11(9(3)14-7-10)16-5-4-12(17)15-13(16)18/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyWREXJVOEHOGOJY-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione (CID 176558358) is 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione is Cc1ncc(C(C)C)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione?
The InChIKey is WREXJVOEHOGOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)10-6-11(9(3)14-7-10)16-5-4-12(17)15-13(16)18/h6-8H,4-5H2,1-3H3,(H,15,17,18).
What are the key properties of 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione?
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione has a molecular weight of 247.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176558358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).