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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Related Compounds

8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine
CID 142780238
4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
CID 143254997
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030
4-[3-(3-amino-2,6-difluorophenyl)-1-ethylpyrazol-4-yl]pyridin-2-amine;2,5-difluorobenzenethiol
CID 143929399
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
CID 63758337
8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine
CID 58441916
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 63757128
2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 62218294
4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine
CID 154699548
4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 11536681
4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
CID 142578098

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).