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

C9H14N4O2 — CID 79502339

IUPAC5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESCC1C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C9H14N4O2/c1-6-7(14)11-9(12-8(6)15)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14,15)
InChIKeyCFEIERQJUHXVQH-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.46
Rot. Bonds

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

5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 79502339) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID79502339
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESCC1C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C9H14N4O2/c1-6-7(14)11-9(12-8(6)15)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14,15)
InChIKeyCFEIERQJUHXVQH-UHFFFAOYSA-N
XLogP-1.46
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.46
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (CID 79502339) is 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is CC1C(=O)N=C(N2CCNCC2)NC1=O.
What is the InChIKey of 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is CFEIERQJUHXVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-7(14)11-9(12-8(6)15)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14,15).
What are the key properties of 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 210.24 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).