9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine

C21H20FN7O — CID 57411943

IUPAC9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine
SMILESFc1cccc(-n2cnc3c(NCc4ccccn4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C21H20FN7O/c22-15-4-3-6-17(12-15)29-14-25-18-19(24-13-16-5-1-2-7-23-16)26-21(27-20(18)29)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,26,27)
InChIKeyBKTDJFYZVSLYHT-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.80
Rot. Bonds5

About 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine

9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine (PubChem CID 57411943) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine
PubChem CID57411943
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine
SMILESFc1cccc(-n2cnc3c(NCc4ccccn4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C21H20FN7O/c22-15-4-3-6-17(12-15)29-14-25-18-19(24-13-16-5-1-2-7-23-16)26-21(27-20(18)29)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,26,27)
InChIKeyBKTDJFYZVSLYHT-UHFFFAOYSA-N
XLogP2.80
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine?
The IUPAC name of 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine (CID 57411943) is 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine.
What is the SMILES notation for 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine?
The canonical SMILES for 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine is Fc1cccc(-n2cnc3c(NCc4ccccn4)nc(N4CCOCC4)nc32)c1.
What is the InChIKey of 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine?
The InChIKey is BKTDJFYZVSLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-15-4-3-6-17(12-15)29-14-25-18-19(24-13-16-5-1-2-7-23-16)26-21(27-20(18)29)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,26,27).
What are the key properties of 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine?
9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine has a molecular weight of 405.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine is sourced from PubChem (CID 57411943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).