N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide

C10H17N7O2S — CID 145188830

IUPACN'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide
SMILESCC(C)n1cnc2c(N(C)NS(C)(=O)=O)nc(N)nc21
InChIInChI=1S/C10H17N7O2S/c1-6(2)17-5-12-7-8(13-10(11)14-9(7)17)16(3)15-20(4,18)19/h5-6,15H,1-4H3,(H2,11,13,14)
InChIKeyZZQSYOCCWRJFMR-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.11
Rot. Bonds4

About N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide

N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide (PubChem CID 145188830) has the molecular formula C10H17N7O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide.

Molecular Properties

Compound NameN'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide
PubChem CID145188830
Molecular FormulaC10H17N7O2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC NameN'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide
SMILESCC(C)n1cnc2c(N(C)NS(C)(=O)=O)nc(N)nc21
InChIInChI=1S/C10H17N7O2S/c1-6(2)17-5-12-7-8(13-10(11)14-9(7)17)16(3)15-20(4,18)19/h5-6,15H,1-4H3,(H2,11,13,14)
InChIKeyZZQSYOCCWRJFMR-UHFFFAOYSA-N
XLogP-0.11
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide?
The IUPAC name of N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide (CID 145188830) is N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide.
What is the SMILES notation for N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide?
The canonical SMILES for N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide is CC(C)n1cnc2c(N(C)NS(C)(=O)=O)nc(N)nc21.
What is the InChIKey of N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide?
The InChIKey is ZZQSYOCCWRJFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2S/c1-6(2)17-5-12-7-8(13-10(11)14-9(7)17)16(3)15-20(4,18)19/h5-6,15H,1-4H3,(H2,11,13,14).
What are the key properties of N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide?
N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide has a molecular weight of 299.36 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide is sourced from PubChem (CID 145188830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).