6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one

C15H17Cl2N5OS — CID 166465088

IUPAC6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCNCC2)nc(N)c(Sc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C15H17Cl2N5OS/c1-21-14(23)12(24-10-4-2-3-9(16)11(10)17)13(18)20-15(21)22-7-5-19-6-8-22/h2-4,19H,5-8,18H2,1H3
InChIKeyLLXIBRPEMRZCTC-UHFFFAOYSA-N
MW386.31 g/mol
LogP2.23
Rot. Bonds3

About 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one

6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one (PubChem CID 166465088) has the molecular formula C15H17Cl2N5OS and a molecular weight of 386.31 g/mol. Its IUPAC name is 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one
PubChem CID166465088
Molecular FormulaC15H17Cl2N5OS
Molecular Weight386.31 g/mol
Exact Mass385.05
IUPAC Name6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCNCC2)nc(N)c(Sc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C15H17Cl2N5OS/c1-21-14(23)12(24-10-4-2-3-9(16)11(10)17)13(18)20-15(21)22-7-5-19-6-8-22/h2-4,19H,5-8,18H2,1H3
InChIKeyLLXIBRPEMRZCTC-UHFFFAOYSA-N
XLogP2.23
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one (CID 166465088) is 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one is Cn1c(N2CCNCC2)nc(N)c(Sc2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The InChIKey is LLXIBRPEMRZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5OS/c1-21-14(23)12(24-10-4-2-3-9(16)11(10)17)13(18)20-15(21)22-7-5-19-6-8-22/h2-4,19H,5-8,18H2,1H3.
What are the key properties of 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one has a molecular weight of 386.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 166465088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).