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

C10H16N4O2 — CID 76998598

IUPAC5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C10H16N4O2/c1-2-7-8(15)12-10(13-9(7)16)14-5-3-11-4-6-14/h7,11H,2-6H2,1H3,(H,12,13,15,16)
InChIKeyBAKQJOMDVYIHDL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.07
Rot. Bonds1

About 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione

5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 76998598) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID76998598
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C10H16N4O2/c1-2-7-8(15)12-10(13-9(7)16)14-5-3-11-4-6-14/h7,11H,2-6H2,1H3,(H,12,13,15,16)
InChIKeyBAKQJOMDVYIHDL-UHFFFAOYSA-N
XLogP-1.07
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.07
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

5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide
CID 23594197
3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide
CID 130410641
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
2-(4-methylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215288
2-(4-ethylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215289
5-(3-Methylbutyl)-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397479
5-(2-Methylpropyl)-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397481
5-Butyl-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397482
2-(Piperidin-1-yl)-5-(propan-2-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397483

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (CID 76998598) is 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(N2CCNCC2)NC1=O.
What is the InChIKey of 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is BAKQJOMDVYIHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-7-8(15)12-10(13-9(7)16)14-5-3-11-4-6-14/h7,11H,2-6H2,1H3,(H,12,13,15,16).
What are the key properties of 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 224.26 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).