2-piperazin-1-yl-1H-pyrimidine-4,6-dione

C8H12N4O2 — CID 79500738

IUPAC2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(N2CCNCC2)=N1
InChIInChI=1S/C8H12N4O2/c13-6-5-7(14)11-8(10-6)12-3-1-9-2-4-12/h9H,1-5H2,(H,10,11,13,14)
InChIKeyZMRWOUQFFPYOAH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.71
Rot. Bonds

About 2-piperazin-1-yl-1H-pyrimidine-4,6-dione

2-piperazin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 79500738) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-piperazin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperazin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID79500738
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(N2CCNCC2)=N1
InChIInChI=1S/C8H12N4O2/c13-6-5-7(14)11-8(10-6)12-3-1-9-2-4-12/h9H,1-5H2,(H,10,11,13,14)
InChIKeyZMRWOUQFFPYOAH-UHFFFAOYSA-N
XLogP-1.71
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4,6(1H,5H)-Pyrimidinedione, 2-piperidino-
CID 3045889
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
2-(1,4-diazepan-1-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550603
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
3-[[formamido-(4-methylpiperazin-1-yl)methylidene]amino]-N-methylpropanamide
CID 118617365
N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide
CID 122608808
2-[(2S)-aziridin-2-yl]imino-1,3-diazinane-4,6-dione
CID 136649088
N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide
CID 167084900
1-[4-(2-Amino-1,4,5,6-tetrahydropyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 178696367
[2-(dimethylamino)-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-piperazin-1-ylmethanone
CID 178907011

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-piperazin-1-yl-1H-pyrimidine-4,6-dione (CID 79500738) is 2-piperazin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-piperazin-1-yl-1H-pyrimidine-4,6-dione is O=C1CC(=O)NC(N2CCNCC2)=N1.
What is the InChIKey of 2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is ZMRWOUQFFPYOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-6-5-7(14)11-8(10-6)12-3-1-9-2-4-12/h9H,1-5H2,(H,10,11,13,14).
What are the key properties of 2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
2-piperazin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 196.21 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79500738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).