N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide

C10H12ClN5OS — CID 135030737

IUPACN-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide
SMILESCSc1nc(Cl)nc2c1ncn2CN(C)C(C)=O
InChIInChI=1S/C10H12ClN5OS/c1-6(17)15(2)5-16-4-12-7-8(16)13-10(11)14-9(7)18-3/h4H,5H2,1-3H3
InChIKeyANBZKIANHHXYLM-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.64
Rot. Bonds3

About N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide

N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide (PubChem CID 135030737) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide
PubChem CID135030737
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC NameN-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide
SMILESCSc1nc(Cl)nc2c1ncn2CN(C)C(C)=O
InChIInChI=1S/C10H12ClN5OS/c1-6(17)15(2)5-16-4-12-7-8(16)13-10(11)14-9(7)18-3/h4H,5H2,1-3H3
InChIKeyANBZKIANHHXYLM-UHFFFAOYSA-N
XLogP1.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide (CID 135030737) is N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide is CSc1nc(Cl)nc2c1ncn2CN(C)C(C)=O.
What is the InChIKey of N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide?
The InChIKey is ANBZKIANHHXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c1-6(17)15(2)5-16-4-12-7-8(16)13-10(11)14-9(7)18-3/h4H,5H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide?
N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide has a molecular weight of 285.76 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 135030737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).