8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine

C18H16FN7 — CID 142780240

IUPAC8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine
SMILESCCn1c(-c2ccnc(N)c2)nc2c(-c3ccc(F)cc3)nc(N)nc21
InChIInChI=1S/C18H16FN7/c1-2-26-16(11-7-8-22-13(20)9-11)23-15-14(24-18(21)25-17(15)26)10-3-5-12(19)6-4-10/h3-9H,2H2,1H3,(H2,20,22)(H2,21,24,25)
InChIKeySJVCDYIFKWTWBL-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.88
Rot. Bonds3

About 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine

8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine (PubChem CID 142780240) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine.

Molecular Properties

Compound Name8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine
PubChem CID142780240
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine
SMILESCCn1c(-c2ccnc(N)c2)nc2c(-c3ccc(F)cc3)nc(N)nc21
InChIInChI=1S/C18H16FN7/c1-2-26-16(11-7-8-22-13(20)9-11)23-15-14(24-18(21)25-17(15)26)10-3-5-12(19)6-4-10/h3-9H,2H2,1H3,(H2,20,22)(H2,21,24,25)
InChIKeySJVCDYIFKWTWBL-UHFFFAOYSA-N
XLogP2.88
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine?
The IUPAC name of 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine (CID 142780240) is 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine.
What is the SMILES notation for 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine?
The canonical SMILES for 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine is CCn1c(-c2ccnc(N)c2)nc2c(-c3ccc(F)cc3)nc(N)nc21.
What is the InChIKey of 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine?
The InChIKey is SJVCDYIFKWTWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c1-2-26-16(11-7-8-22-13(20)9-11)23-15-14(24-18(21)25-17(15)26)10-3-5-12(19)6-4-10/h3-9H,2H2,1H3,(H2,20,22)(H2,21,24,25).
What are the key properties of 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine?
8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine has a molecular weight of 349.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine is sourced from PubChem (CID 142780240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).