2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine

C17H18FN5O — CID 68802874

IUPAC2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine
SMILESNc1nc(C2(F)CC(COCc3ccccc3)C2)nc2nc[nH]c12
InChIInChI=1S/C17H18FN5O/c18-17(16-22-14(19)13-15(23-16)21-10-20-13)6-12(7-17)9-24-8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H3,19,20,21,22,23)
InChIKeySPPPXCLJNSYGJH-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine

2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine (PubChem CID 68802874) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine
PubChem CID68802874
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine
SMILESNc1nc(C2(F)CC(COCc3ccccc3)C2)nc2nc[nH]c12
InChIInChI=1S/C17H18FN5O/c18-17(16-22-14(19)13-15(23-16)21-10-20-13)6-12(7-17)9-24-8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H3,19,20,21,22,23)
InChIKeySPPPXCLJNSYGJH-UHFFFAOYSA-N
XLogP2.73
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine?
The IUPAC name of 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine (CID 68802874) is 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine?
The canonical SMILES for 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine is Nc1nc(C2(F)CC(COCc3ccccc3)C2)nc2nc[nH]c12.
What is the InChIKey of 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine?
The InChIKey is SPPPXCLJNSYGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-17(16-22-14(19)13-15(23-16)21-10-20-13)6-12(7-17)9-24-8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H3,19,20,21,22,23).
What are the key properties of 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine?
2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine has a molecular weight of 327.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine is sourced from PubChem (CID 68802874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).