2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine

C24H25FN6O — CID 145395697

IUPAC2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine
SMILESC=C(NCc1cccc(-c2ccccc2)c1)OCCCCn1cnc2c(N)nc(F)nc21
InChIInChI=1S/C24H25FN6O/c1-17(27-15-18-8-7-11-20(14-18)19-9-3-2-4-10-19)32-13-6-5-12-31-16-28-21-22(26)29-24(25)30-23(21)31/h2-4,7-11,14,16,27H,1,5-6,12-13,15H2,(H2,26,29,30)
InChIKeyUIGCZSPNKCDEAR-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.27
Rot. Bonds10

About 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine

2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine (PubChem CID 145395697) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine.

Molecular Properties

Compound Name2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine
PubChem CID145395697
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine
SMILESC=C(NCc1cccc(-c2ccccc2)c1)OCCCCn1cnc2c(N)nc(F)nc21
InChIInChI=1S/C24H25FN6O/c1-17(27-15-18-8-7-11-20(14-18)19-9-3-2-4-10-19)32-13-6-5-12-31-16-28-21-22(26)29-24(25)30-23(21)31/h2-4,7-11,14,16,27H,1,5-6,12-13,15H2,(H2,26,29,30)
InChIKeyUIGCZSPNKCDEAR-UHFFFAOYSA-N
XLogP4.27
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[4-[1-(1,3-benzoxazol-6-ylmethylamino)ethenoxy]butyl]-2-methylpurin-6-amine
CID 145395691
9-[4-[1-[[4-chloro-3-(2-fluoropropan-2-yl)phenyl]methylamino]ethenoxy]butyl]-2-N,2-N-dimethylpurine-2,6-diamine
CID 170200261
4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 138611751
4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2-chloro-3-methyl-6-(trifluoromethyl)phenyl]methyl]carbamate
CID 170198231
9-[6-[[3-(2-fluoropropan-2-yl)phenyl]methylamino]hept-6-enyl]-2-(furan-3-yl)purin-6-amine
CID 170201590
4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate
CID 157171938
4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-fluoropropan-2-yl)phenyl]methyl]carbamate
CID 170198156
4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylsulfonylindol-5-yl)methyl]carbamate
CID 138611615
4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate
CID 138609662
4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;ethane
CID 145395687
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714
4-(2-chloro-6-methylpurin-9-yl)butyl N-[(2-phenylimidazo[1,2-a]pyridin-6-yl)methyl]carbamate
CID 158847938

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine?
The IUPAC name of 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine (CID 145395697) is 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine.
What is the SMILES notation for 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine?
The canonical SMILES for 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine is C=C(NCc1cccc(-c2ccccc2)c1)OCCCCn1cnc2c(N)nc(F)nc21.
What is the InChIKey of 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine?
The InChIKey is UIGCZSPNKCDEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-17(27-15-18-8-7-11-20(14-18)19-9-3-2-4-10-19)32-13-6-5-12-31-16-28-21-22(26)29-24(25)30-23(21)31/h2-4,7-11,14,16,27H,1,5-6,12-13,15H2,(H2,26,29,30).
What are the key properties of 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine?
2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine has a molecular weight of 432.50 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-[4-[1-[(3-phenylphenyl)methylamino]ethenoxy]butyl]purin-6-amine is sourced from PubChem (CID 145395697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).