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

C8H8N4O2 — CID 70200878

IUPAC1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ncccn2)C(=O)N1
InChIInChI=1S/C8H8N4O2/c13-6-2-5-12(8(14)11-6)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,13,14)
InChIKeyBUUWHTDKEMOSQJ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.08
Rot. Bonds1

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

1-pyrimidin-2-yl-1,3-diazinane-2,4-dione (PubChem CID 70200878) 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-2,4-dione.

Molecular Properties

Compound Name1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
PubChem CID70200878
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ncccn2)C(=O)N1
InChIInChI=1S/C8H8N4O2/c13-6-2-5-12(8(14)11-6)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,13,14)
InChIKeyBUUWHTDKEMOSQJ-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-pyrimidin-2-yl-1,3-diazinane-2,4-dione (CID 70200878) is 1-pyrimidin-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-pyrimidin-2-yl-1,3-diazinane-2,4-dione is O=C1CCN(c2ncccn2)C(=O)N1.
What is the InChIKey of 1-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is BUUWHTDKEMOSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-6-2-5-12(8(14)11-6)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,13,14).
What are the key properties of 1-pyrimidin-2-yl-1,3-diazinane-2,4-dione?
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 192.18 g/mol, XLogP of -0.08, 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-2,4-dione is sourced from PubChem (CID 70200878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).