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

C10H10N4O3 — CID 112597826

IUPAC1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1nccc(CN2C(=O)CC(=O)NC2=O)n1
InChIInChI=1S/C10H10N4O3/c1-6-11-3-2-7(12-6)5-14-9(16)4-8(15)13-10(14)17/h2-3H,4-5H2,1H3,(H,13,15,17)
InChIKeyGCUNJYAWMKDBNH-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.25
Rot. Bonds2

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

1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 112597826) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID112597826
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1nccc(CN2C(=O)CC(=O)NC2=O)n1
InChIInChI=1S/C10H10N4O3/c1-6-11-3-2-7(12-6)5-14-9(16)4-8(15)13-10(14)17/h2-3H,4-5H2,1H3,(H,13,15,17)
InChIKeyGCUNJYAWMKDBNH-UHFFFAOYSA-N
XLogP-0.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione (CID 112597826) is 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione is Cc1nccc(CN2C(=O)CC(=O)NC2=O)n1.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is GCUNJYAWMKDBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-11-3-2-7(12-6)5-14-9(16)4-8(15)13-10(14)17/h2-3H,4-5H2,1H3,(H,13,15,17).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 234.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).