4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one

C23H26N4O — CID 135644964

IUPAC4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C23H26N4O/c1-2-9-20-21(18-10-5-3-6-11-18)24-23(25-22(20)28)27-16-14-26(15-17-27)19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,24,25,28)
InChIKeyBGMLXHWHIULGGF-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.72
Rot. Bonds5

About 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one

4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 135644964) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID135644964
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C23H26N4O/c1-2-9-20-21(18-10-5-3-6-11-18)24-23(25-22(20)28)27-16-14-26(15-17-27)19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,24,25,28)
InChIKeyBGMLXHWHIULGGF-UHFFFAOYSA-N
XLogP3.72
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one (CID 135644964) is 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is BGMLXHWHIULGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-9-20-21(18-10-5-3-6-11-18)24-23(25-22(20)28)27-16-14-26(15-17-27)19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,24,25,28).
What are the key properties of 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one?
4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 374.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135644964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).