2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine

C18H16FN7O — CID 138700833

IUPAC2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine
SMILESCCOc1nc(N)c2nc(-c3cncc(F)c3)n(Cc3cccnc3)c2n1
InChIInChI=1S/C18H16FN7O/c1-2-27-18-24-15(20)14-17(25-18)26(10-11-4-3-5-21-7-11)16(23-14)12-6-13(19)9-22-8-12/h3-9H,2,10H2,1H3,(H2,20,24,25)
InChIKeyZWTYAWNGWXXTOA-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.45
Rot. Bonds5

About 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine

2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine (PubChem CID 138700833) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine
PubChem CID138700833
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine
SMILESCCOc1nc(N)c2nc(-c3cncc(F)c3)n(Cc3cccnc3)c2n1
InChIInChI=1S/C18H16FN7O/c1-2-27-18-24-15(20)14-17(25-18)26(10-11-4-3-5-21-7-11)16(23-14)12-6-13(19)9-22-8-12/h3-9H,2,10H2,1H3,(H2,20,24,25)
InChIKeyZWTYAWNGWXXTOA-UHFFFAOYSA-N
XLogP2.45
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 46220502
CID 46220502
CID 49971
CID 49971
CID 46912230
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CID 24983461
CID 24983461
CID 10224714
CID 10224714
CID 54760385
CID 54760385
CID 9953906
CID 9953906
CID 10133248
CID 10133248
CID 15953860
CID 15953860
CID 6450818
CID 6450818
CID 53339381
CID 53339381
CID 5329434
CID 5329434

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine?
The IUPAC name of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine (CID 138700833) is 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine.
What is the SMILES notation for 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine?
The canonical SMILES for 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine is CCOc1nc(N)c2nc(-c3cncc(F)c3)n(Cc3cccnc3)c2n1.
What is the InChIKey of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine?
The InChIKey is ZWTYAWNGWXXTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O/c1-2-27-18-24-15(20)14-17(25-18)26(10-11-4-3-5-21-7-11)16(23-14)12-6-13(19)9-22-8-12/h3-9H,2,10H2,1H3,(H2,20,24,25).
What are the key properties of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine?
2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine has a molecular weight of 365.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-(pyridin-3-ylmethyl)purin-6-amine is sourced from PubChem (CID 138700833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).