2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione

C15H18N4O2 — CID 3044484

IUPAC2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
SMILESCN1CCN(C2=NC(=O)C(c3ccccc3)C(=O)N2)CC1
InChIInChI=1S/C15H18N4O2/c1-18-7-9-19(10-8-18)15-16-13(20)12(14(21)17-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17,20,21)
InChIKeyLRNRSRNHPHGTDM-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.03
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione

2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione (PubChem CID 3044484) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
PubChem CID3044484
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
SMILESCN1CCN(C2=NC(=O)C(c3ccccc3)C(=O)N2)CC1
InChIInChI=1S/C15H18N4O2/c1-18-7-9-19(10-8-18)15-16-13(20)12(14(21)17-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17,20,21)
InChIKeyLRNRSRNHPHGTDM-UHFFFAOYSA-N
XLogP0.03
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
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 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione (CID 3044484) is 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione is CN1CCN(C2=NC(=O)C(c3ccccc3)C(=O)N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione?
The InChIKey is LRNRSRNHPHGTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-7-9-19(10-8-18)15-16-13(20)12(14(21)17-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17,20,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione?
2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione has a molecular weight of 286.33 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 3044484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).