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

C17H22N4O — CID 135456330

IUPAC2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-2-6-14-13-16(22)19-17(18-14)21-11-9-20(10-12-21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,18,19,22)
InChIKeySLTPZOUBAIFDNZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.05
Rot. Bonds4

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

2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135456330) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID135456330
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-2-6-14-13-16(22)19-17(18-14)21-11-9-20(10-12-21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,18,19,22)
InChIKeySLTPZOUBAIFDNZ-UHFFFAOYSA-N
XLogP2.05
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644799
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one
CID 135644964
2-[4-(4-aminophenyl)piperazin-1-yl]-4-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925297
4-[(4-phenylpiperazin-1-yl)methyl]-2-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135933156
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135911475
2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 135764000
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478
4-(ethylaminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135978215
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644902
4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
CID 163329753
2-[4-[4-(2-methylpropyl)piperazin-1-yl]anilino]-4-propyl-1H-pyrimidin-6-one
CID 136779421

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one (CID 135456330) is 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is SLTPZOUBAIFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-6-14-13-16(22)19-17(18-14)21-11-9-20(10-12-21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,18,19,22).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one?
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 298.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135456330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).