piperazine;1H-pyrimidine-2,4-dione

C8H14N4O2 — CID 67838221

IUPACpiperazine;1H-pyrimidine-2,4-dione
SMILESC1CNCCN1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C4H10N2/c7-3-1-2-5-4(8)6-3;1-2-6-4-3-5-1/h1-2H,(H2,5,6,7,8);5-6H,1-4H2
InChIKeyZBTHQPOAMCTRFS-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.76
Rot. Bonds

About piperazine;1H-pyrimidine-2,4-dione

piperazine;1H-pyrimidine-2,4-dione (PubChem CID 67838221) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is piperazine;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Namepiperazine;1H-pyrimidine-2,4-dione
PubChem CID67838221
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Namepiperazine;1H-pyrimidine-2,4-dione
SMILESC1CNCCN1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C4H10N2/c7-3-1-2-5-4(8)6-3;1-2-6-4-3-5-1/h1-2H,(H2,5,6,7,8);5-6H,1-4H2
InChIKeyZBTHQPOAMCTRFS-UHFFFAOYSA-N
XLogP-1.76
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 651501
1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 12816873
1-(Piperidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 137947129
6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 7080822
6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 54538630
2-piperazin-1-ylethanamine;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 161696765
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
CID 22765446
CID 22765446
3-[1-(2-aminoethyl)piperazin-1-ium-1-yl]-N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 123225505
N-(2-aminoethyl)uracil-S-carboxamide
CID 129824450
zinc;azane;pyrimidin-1-ide-2,4-dione;1H-pyrimidin-3-ide-2,4-dione
CID 139145807
1-(piperidin-3-yl)pyrimidine-2,4(1H,3H)-dione
CID 51050696

Frequently Asked Questions

What is the IUPAC name of piperazine;1H-pyrimidine-2,4-dione?
The IUPAC name of piperazine;1H-pyrimidine-2,4-dione (CID 67838221) is piperazine;1H-pyrimidine-2,4-dione.
What is the SMILES notation for piperazine;1H-pyrimidine-2,4-dione?
The canonical SMILES for piperazine;1H-pyrimidine-2,4-dione is C1CNCCN1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of piperazine;1H-pyrimidine-2,4-dione?
The InChIKey is ZBTHQPOAMCTRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C4H10N2/c7-3-1-2-5-4(8)6-3;1-2-6-4-3-5-1/h1-2H,(H2,5,6,7,8);5-6H,1-4H2.
What are the key properties of piperazine;1H-pyrimidine-2,4-dione?
piperazine;1H-pyrimidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -1.76, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67838221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).