6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one

C15H18N4O — CID 96667655

IUPAC6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccc(N3CCNCC3)cc2)nc(=O)[nH]1
InChIInChI=1S/C15H18N4O/c1-11-10-14(18-15(20)17-11)12-2-4-13(5-3-12)19-8-6-16-7-9-19/h2-5,10,16H,6-9H2,1H3,(H,17,18,20)
InChIKeyXTIGNJZVGZVENE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.15
Rot. Bonds2

About 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one

6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one (PubChem CID 96667655) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
PubChem CID96667655
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccc(N3CCNCC3)cc2)nc(=O)[nH]1
InChIInChI=1S/C15H18N4O/c1-11-10-14(18-15(20)17-11)12-2-4-13(5-3-12)19-8-6-16-7-9-19/h2-5,10,16H,6-9H2,1H3,(H,17,18,20)
InChIKeyXTIGNJZVGZVENE-UHFFFAOYSA-N
XLogP1.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 105487597
4-methyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82482056
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
CID 103922854
6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one
CID 82473059
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
CID 82483118
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one (CID 96667655) is 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one is Cc1cc(-c2ccc(N3CCNCC3)cc2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
The InChIKey is XTIGNJZVGZVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-10-14(18-15(20)17-11)12-2-4-13(5-3-12)19-8-6-16-7-9-19/h2-5,10,16H,6-9H2,1H3,(H,17,18,20).
What are the key properties of 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 96667655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).