N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine

C16H14FN7 — CID 24946933

IUPACN-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine
SMILESCc1ccn(-c2nc(Nc3ccc(F)cc3)c3ncn(C)c3n2)n1
InChIInChI=1S/C16H14FN7/c1-10-7-8-24(22-10)16-20-14(13-15(21-16)23(2)9-18-13)19-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,19,20,21)
InChIKeyFHAJWQLFSSJBAK-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.74
Rot. Bonds3

About N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine

N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine (PubChem CID 24946933) has the molecular formula C16H14FN7 and a molecular weight of 323.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine
PubChem CID24946933
Molecular FormulaC16H14FN7
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC NameN-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine
SMILESCc1ccn(-c2nc(Nc3ccc(F)cc3)c3ncn(C)c3n2)n1
InChIInChI=1S/C16H14FN7/c1-10-7-8-24(22-10)16-20-14(13-15(21-16)23(2)9-18-13)19-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,19,20,21)
InChIKeyFHAJWQLFSSJBAK-UHFFFAOYSA-N
XLogP2.74
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine?
The IUPAC name of N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine (CID 24946933) is N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine.
What is the SMILES notation for N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine?
The canonical SMILES for N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine is Cc1ccn(-c2nc(Nc3ccc(F)cc3)c3ncn(C)c3n2)n1.
What is the InChIKey of N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine?
The InChIKey is FHAJWQLFSSJBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7/c1-10-7-8-24(22-10)16-20-14(13-15(21-16)23(2)9-18-13)19-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine?
N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine has a molecular weight of 323.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine is sourced from PubChem (CID 24946933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).