1-piperazin-1-ylpyrimidine-2,4-dione

C8H12N4O2 — CID 21388289

IUPAC1-piperazin-1-ylpyrimidine-2,4-dione
SMILESO=c1ccn(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c13-7-1-4-12(8(14)10-7)11-5-2-9-3-6-11/h1,4,9H,2-3,5-6H2,(H,10,13,14)
InChIKeyJQBZKZYTCHXKDU-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.92
Rot. Bonds1

About 1-piperazin-1-ylpyrimidine-2,4-dione

1-piperazin-1-ylpyrimidine-2,4-dione (PubChem CID 21388289) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-piperazin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-piperazin-1-ylpyrimidine-2,4-dione
PubChem CID21388289
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-piperazin-1-ylpyrimidine-2,4-dione
SMILESO=c1ccn(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c13-7-1-4-12(8(14)10-7)11-5-2-9-3-6-11/h1,4,9H,2-3,5-6H2,(H,10,13,14)
InChIKeyJQBZKZYTCHXKDU-UHFFFAOYSA-N
XLogP-1.92
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1'-Biuracil
CID 90742304
Azouracil
CID 129661488
Piperidinouracil
CID 129816876
N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide
CID 18678968
6-Methyl-1-(1-piperazinyl)-2,4(1H,3H)-pyrimidinedione
CID 20043785
1-Piperazin-1-yl-3-propylpyrimidine-2,4-dione
CID 21625366
3-piperazin-1-yl-1H-pyrimidine-2,4-dione
CID 21625404
1-(2-Aminoethylamino)pyrimidine-2,4-dione
CID 21625406
1-(2-Oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
CID 28945242
piperazine;1H-pyrimidine-2,4-dione
CID 67838221
3-(2,4-dioxopyrimidin-1-yl)-1H-pyrimidine-2,4-dione
CID 67853434
3-(2,4-dioxo-1H-pyrimidin-3-yl)-1H-pyrimidine-2,4-dione
CID 67853435

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 1-piperazin-1-ylpyrimidine-2,4-dione (CID 21388289) is 1-piperazin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-piperazin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-piperazin-1-ylpyrimidine-2,4-dione is O=c1ccn(N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 1-piperazin-1-ylpyrimidine-2,4-dione?
The InChIKey is JQBZKZYTCHXKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7-1-4-12(8(14)10-7)11-5-2-9-3-6-11/h1,4,9H,2-3,5-6H2,(H,10,13,14).
What are the key properties of 1-piperazin-1-ylpyrimidine-2,4-dione?
1-piperazin-1-ylpyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 21388289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).