N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide

C10H12FN5OS — CID 166322766

IUPACN-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESCC(F)CNC(=O)CSc1ncnc2nc[nH]c12
InChIInChI=1S/C10H12FN5OS/c1-6(11)2-12-7(17)3-18-10-8-9(14-4-13-8)15-5-16-10/h4-6H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyKRWOWUNVBWCPTM-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.92
Rot. Bonds5

About N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide

N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide (PubChem CID 166322766) has the molecular formula C10H12FN5OS and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide
PubChem CID166322766
Molecular FormulaC10H12FN5OS
Molecular Weight269.30 g/mol
Exact Mass269.07
IUPAC NameN-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESCC(F)CNC(=O)CSc1ncnc2nc[nH]c12
InChIInChI=1S/C10H12FN5OS/c1-6(11)2-12-7(17)3-18-10-8-9(14-4-13-8)15-5-16-10/h4-6H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyKRWOWUNVBWCPTM-UHFFFAOYSA-N
XLogP0.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide (CID 166322766) is N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide is CC(F)CNC(=O)CSc1ncnc2nc[nH]c12.
What is the InChIKey of N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
The InChIKey is KRWOWUNVBWCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5OS/c1-6(11)2-12-7(17)3-18-10-8-9(14-4-13-8)15-5-16-10/h4-6H,2-3H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-2-(7H-purin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 166322766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).