N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide

C15H20F2N6O — CID 126834312

IUPACN-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
SMILESNc1ncnc2c1ncn2CCCNC(=O)C1(C(F)F)CCCC1
InChIInChI=1S/C15H20F2N6O/c16-13(17)15(4-1-2-5-15)14(24)19-6-3-7-23-9-22-10-11(18)20-8-21-12(10)23/h8-9,13H,1-7H2,(H,19,24)(H2,18,20,21)
InChIKeyOGZMXFDHXQIBTH-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.74
Rot. Bonds6

About N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide

N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide (PubChem CID 126834312) has the molecular formula C15H20F2N6O and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
PubChem CID126834312
Molecular FormulaC15H20F2N6O
Molecular Weight338.36 g/mol
Exact Mass338.17
IUPAC NameN-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
SMILESNc1ncnc2c1ncn2CCCNC(=O)C1(C(F)F)CCCC1
InChIInChI=1S/C15H20F2N6O/c16-13(17)15(4-1-2-5-15)14(24)19-6-3-7-23-9-22-10-11(18)20-8-21-12(10)23/h8-9,13H,1-7H2,(H,19,24)(H2,18,20,21)
InChIKeyOGZMXFDHXQIBTH-UHFFFAOYSA-N
XLogP1.74
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide (CID 126834312) is N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide is Nc1ncnc2c1ncn2CCCNC(=O)C1(C(F)F)CCCC1.
What is the InChIKey of N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is OGZMXFDHXQIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O/c16-13(17)15(4-1-2-5-15)14(24)19-6-3-7-23-9-22-10-11(18)20-8-21-12(10)23/h8-9,13H,1-7H2,(H,19,24)(H2,18,20,21).
What are the key properties of N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 126834312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).