5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

C22H24N4O — CID 135400037

IUPAC5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-20(16-18-8-4-2-5-9-18)21(27)24-22(23-17)26-14-12-25(13-15-26)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,23,24,27)
InChIKeyROYOQCCLNJHVCQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.00
Rot. Bonds4

About 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135400037) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135400037
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-20(16-18-8-4-2-5-9-18)21(27)24-22(23-17)26-14-12-25(13-15-26)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,23,24,27)
InChIKeyROYOQCCLNJHVCQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135400037) is 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is ROYOQCCLNJHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-20(16-18-8-4-2-5-9-18)21(27)24-22(23-17)26-14-12-25(13-15-26)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,23,24,27).
What are the key properties of 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 360.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135400037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).