1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione

C11H11N3O3 — CID 112597998

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cccnc1CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C11H11N3O3/c1-7-3-2-4-12-8(7)6-14-10(16)5-9(15)13-11(14)17/h2-4H,5-6H2,1H3,(H,13,15,17)
InChIKeyBMOSQFVNGJKPAW-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.36
Rot. Bonds2

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

1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 112597998) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID112597998
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cccnc1CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C11H11N3O3/c1-7-3-2-4-12-8(7)6-14-10(16)5-9(15)13-11(14)17/h2-4H,5-6H2,1H3,(H,13,15,17)
InChIKeyBMOSQFVNGJKPAW-UHFFFAOYSA-N
XLogP0.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.36
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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Related Compounds

1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112597826
2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098688
1-[(3-methyl-2-pyridinyl)methyl]piperidine-2,4-dione
CID 79517939
1-[(1-methylimidazol-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112598004
3-ethyl-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64970801
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
3-ethyl-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 64970696
5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 112650322
2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218011
3-ethyl-3,7-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 115982597
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
5,5-diethyl-2,2-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982543

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione (CID 112597998) is 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione is Cc1cccnc1CN1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is BMOSQFVNGJKPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-3-2-4-12-8(7)6-14-10(16)5-9(15)13-11(14)17/h2-4H,5-6H2,1H3,(H,13,15,17).
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 233.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).