1-pyrimidin-2-yl-1,3-diazinane-4,6-dione

C8H8N4O2 — CID 150392853

IUPAC1-pyrimidin-2-yl-1,3-diazinane-4,6-dione
SMILESO=C1CC(=O)N(c2ncccn2)CN1
InChIInChI=1S/C8H8N4O2/c13-6-4-7(14)12(5-11-6)8-9-2-1-3-10-8/h1-3H,4-5H2,(H,11,13)
InChIKeyHCBQCZWLJAPIPR-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.71
Rot. Bonds1

About 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione

1-pyrimidin-2-yl-1,3-diazinane-4,6-dione (PubChem CID 150392853) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name1-pyrimidin-2-yl-1,3-diazinane-4,6-dione
PubChem CID150392853
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-pyrimidin-2-yl-1,3-diazinane-4,6-dione
SMILESO=C1CC(=O)N(c2ncccn2)CN1
InChIInChI=1S/C8H8N4O2/c13-6-4-7(14)12(5-11-6)8-9-2-1-3-10-8/h1-3H,4-5H2,(H,11,13)
InChIKeyHCBQCZWLJAPIPR-UHFFFAOYSA-N
XLogP-0.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.71
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-pyrimidin-2-yl-1,3-diazinane-4,6-dione?
The IUPAC name of 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione (CID 150392853) is 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione.
What is the SMILES notation for 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione?
The canonical SMILES for 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione is O=C1CC(=O)N(c2ncccn2)CN1.
What is the InChIKey of 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione?
The InChIKey is HCBQCZWLJAPIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-6-4-7(14)12(5-11-6)8-9-2-1-3-10-8/h1-3H,4-5H2,(H,11,13).
What are the key properties of 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione?
1-pyrimidin-2-yl-1,3-diazinane-4,6-dione has a molecular weight of 192.18 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-1,3-diazinane-4,6-dione is sourced from PubChem (CID 150392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).