4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

C10H17N5OS — CID 135974743

IUPAC4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCCN2CCNCC2)n1
InChIInChI=1S/C10H17N5OS/c11-8-7-9(16)14-10(13-8)17-6-5-15-3-1-12-2-4-15/h7,12H,1-6H2,(H3,11,13,14,16)
InChIKeyLUJYMAMXFDLVRW-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.65
Rot. Bonds4

About 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135974743) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135974743
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCCN2CCNCC2)n1
InChIInChI=1S/C10H17N5OS/c11-8-7-9(16)14-10(13-8)17-6-5-15-3-1-12-2-4-15/h7,12H,1-6H2,(H3,11,13,14,16)
InChIKeyLUJYMAMXFDLVRW-UHFFFAOYSA-N
XLogP-0.65
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 135974743) is 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCCN2CCNCC2)n1.
What is the InChIKey of 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is LUJYMAMXFDLVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c11-8-7-9(16)14-10(13-8)17-6-5-15-3-1-12-2-4-15/h7,12H,1-6H2,(H3,11,13,14,16).
What are the key properties of 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 255.35 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135974743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).