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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Related Compounds

1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione
CID 177160752
1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione
CID 141037906
1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione
CID 166552762
1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione
CID 177363474
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
1-[5-(2,4-dioxo-1,3-diazinan-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 170163995
1-pyrimidin-2-yl-1,3-diazinane-4,6-dione
CID 150392853
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156858667
5-(4-methylphenyl)-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 79294407
1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
CID 176559772
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
(3R)-3-bromo-1-pyrimidin-2-ylpyrrolidin-2-one
CID 95212398

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).