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

C11H18N4O2 — CID 79502045

IUPAC2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)C1C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C11H18N4O2/c1-7(2)8-9(16)13-11(14-10(8)17)15-5-3-12-4-6-15/h7-8,12H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyOUMXXILHHRMYCA-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.82
Rot. Bonds1

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

2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 79502045) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione
PubChem CID79502045
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)C1C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C11H18N4O2/c1-7(2)8-9(16)13-11(14-10(8)17)15-5-3-12-4-6-15/h7-8,12H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyOUMXXILHHRMYCA-UHFFFAOYSA-N
XLogP-0.82
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.82
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

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
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-(2-Methylpropyl)-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397481
2-(Piperidin-1-yl)-5-(propan-2-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397483
2-(Piperidin-1-yl)-5-propylpyrimidine-4,6(1H,5H)-dione
CID 71397484
5-Ethyl-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397486
5-ethyl-2-(piperazin-1-ylmethyl)-1H-pyrimidine-4,6-dione
CID 76175597
5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 76998598

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione (CID 79502045) is 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione is CC(C)C1C(=O)N=C(N2CCNCC2)NC1=O.
What is the InChIKey of 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is OUMXXILHHRMYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)8-9(16)13-11(14-10(8)17)15-5-3-12-4-6-15/h7-8,12H,3-6H2,1-2H3,(H,13,14,16,17).
What are the key properties of 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 238.29 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).