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

C8H8N4O2 — CID 54139651

IUPAC5-pyrimidin-2-yl-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2ncccn2)C(=O)N1
InChIInChI=1S/C8H8N4O2/c13-7-5(4-11-8(14)12-7)6-9-2-1-3-10-6/h1-3,5H,4H2,(H2,11,12,13,14)
InChIKeyOAEOVNOWLIFRIP-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.60
Rot. Bonds1

About 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione

5-pyrimidin-2-yl-1,3-diazinane-2,4-dione (PubChem CID 54139651) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-pyrimidin-2-yl-1,3-diazinane-2,4-dione
PubChem CID54139651
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name5-pyrimidin-2-yl-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2ncccn2)C(=O)N1
InChIInChI=1S/C8H8N4O2/c13-7-5(4-11-8(14)12-7)6-9-2-1-3-10-6/h1-3,5H,4H2,(H2,11,12,13,14)
InChIKeyOAEOVNOWLIFRIP-UHFFFAOYSA-N
XLogP-0.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione (CID 54139651) is 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione is O=C1NCC(c2ncccn2)C(=O)N1.
What is the InChIKey of 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is OAEOVNOWLIFRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-7-5(4-11-8(14)12-7)6-9-2-1-3-10-6/h1-3,5H,4H2,(H2,11,12,13,14).
What are the key properties of 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
5-pyrimidin-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 192.18 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 54139651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).