4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one

C18H24N4OS — CID 135985971

IUPAC4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCCCN2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4OS/c1-15-14-17(23)20-18(19-15)24-13-5-8-21-9-11-22(12-10-21)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,20,23)
InChIKeySUQCDYILFQVFGA-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.38
Rot. Bonds6

About 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one

4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135985971) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135985971
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCCCN2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4OS/c1-15-14-17(23)20-18(19-15)24-13-5-8-21-9-11-22(12-10-21)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,20,23)
InChIKeySUQCDYILFQVFGA-UHFFFAOYSA-N
XLogP2.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-(3-chloro-5-methylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
CID 22944054
2-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
CID 22944048
6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 10098747
1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine
CID 71294087
1-[3-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-4-phenylpiperazine
CID 73355434
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135410546
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
CID 137098613
4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 139462677
6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 11089822
4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine
CID 118723000
1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine
CID 10247707
2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one (CID 135985971) is 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCCCN2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is SUQCDYILFQVFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15-14-17(23)20-18(19-15)24-13-5-8-21-9-11-22(12-10-21)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,20,23).
What are the key properties of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 344.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135985971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).