2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine

C17H12ClFN6 — CID 20609840

IUPAC2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine
SMILESFc1cccc(-c2ccc(CNc3nc(Cl)nc4nc[nH]c34)cn2)c1
InChIInChI=1S/C17H12ClFN6/c18-17-24-15(14-16(25-17)23-9-22-14)21-8-10-4-5-13(20-7-10)11-2-1-3-12(19)6-11/h1-7,9H,8H2,(H2,21,22,23,24,25)
InChIKeyQEEXDVMXPJJJRH-UHFFFAOYSA-N
MW354.78 g/mol
LogP3.82
Rot. Bonds4

About 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine

2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine (PubChem CID 20609840) has the molecular formula C17H12ClFN6 and a molecular weight of 354.78 g/mol. Its IUPAC name is 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine
PubChem CID20609840
Molecular FormulaC17H12ClFN6
Molecular Weight354.78 g/mol
Exact Mass354.08
IUPAC Name2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine
SMILESFc1cccc(-c2ccc(CNc3nc(Cl)nc4nc[nH]c34)cn2)c1
InChIInChI=1S/C17H12ClFN6/c18-17-24-15(14-16(25-17)23-9-22-14)21-8-10-4-5-13(20-7-10)11-2-1-3-12(19)6-11/h1-7,9H,8H2,(H2,21,22,23,24,25)
InChIKeyQEEXDVMXPJJJRH-UHFFFAOYSA-N
XLogP3.82
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine (CID 20609840) is 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine is Fc1cccc(-c2ccc(CNc3nc(Cl)nc4nc[nH]c34)cn2)c1.
What is the InChIKey of 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine?
The InChIKey is QEEXDVMXPJJJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6/c18-17-24-15(14-16(25-17)23-9-22-14)21-8-10-4-5-13(20-7-10)11-2-1-3-12(19)6-11/h1-7,9H,8H2,(H2,21,22,23,24,25).
What are the key properties of 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine?
2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine has a molecular weight of 354.78 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 20609840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).