8-(3-pyridin-2-ylphenyl)-7H-purine

C16H11N5 — CID 167771845

IUPAC8-(3-pyridin-2-ylphenyl)-7H-purine
SMILESc1ccc(-c2cccc(-c3nc4ncncc4[nH]3)c2)nc1
InChIInChI=1S/C16H11N5/c1-2-7-18-13(6-1)11-4-3-5-12(8-11)15-20-14-9-17-10-19-16(14)21-15/h1-10H,(H,17,19,20,21)
InChIKeyNSMXLHSHKNMPOL-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.08
Rot. Bonds2

About 8-(3-pyridin-2-ylphenyl)-7H-purine

8-(3-pyridin-2-ylphenyl)-7H-purine (PubChem CID 167771845) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 8-(3-pyridin-2-ylphenyl)-7H-purine.

Molecular Properties

Compound Name8-(3-pyridin-2-ylphenyl)-7H-purine
PubChem CID167771845
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name8-(3-pyridin-2-ylphenyl)-7H-purine
SMILESc1ccc(-c2cccc(-c3nc4ncncc4[nH]3)c2)nc1
InChIInChI=1S/C16H11N5/c1-2-7-18-13(6-1)11-4-3-5-12(8-11)15-20-14-9-17-10-19-16(14)21-15/h1-10H,(H,17,19,20,21)
InChIKeyNSMXLHSHKNMPOL-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7H-purin-8-yl)pyridin-2-amine
CID 114402124
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
6-methyl-2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
CID 79796383
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
8-thiophen-3-yl-7H-purine
CID 114402602
8-(5-bromo-3-pyridinyl)-7H-purine
CID 114402746
5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 165106761
8-[4-bromo-3-(trifluoromethyl)phenyl]-7H-purine
CID 114402525
8-(5-methylfuran-3-yl)-7H-purine
CID 114821646

Frequently Asked Questions

What is the IUPAC name of 8-(3-pyridin-2-ylphenyl)-7H-purine?
The IUPAC name of 8-(3-pyridin-2-ylphenyl)-7H-purine (CID 167771845) is 8-(3-pyridin-2-ylphenyl)-7H-purine.
What is the SMILES notation for 8-(3-pyridin-2-ylphenyl)-7H-purine?
The canonical SMILES for 8-(3-pyridin-2-ylphenyl)-7H-purine is c1ccc(-c2cccc(-c3nc4ncncc4[nH]3)c2)nc1.
What is the InChIKey of 8-(3-pyridin-2-ylphenyl)-7H-purine?
The InChIKey is NSMXLHSHKNMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-2-7-18-13(6-1)11-4-3-5-12(8-11)15-20-14-9-17-10-19-16(14)21-15/h1-10H,(H,17,19,20,21).
What are the key properties of 8-(3-pyridin-2-ylphenyl)-7H-purine?
8-(3-pyridin-2-ylphenyl)-7H-purine has a molecular weight of 273.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pyridin-2-ylphenyl)-7H-purine is sourced from PubChem (CID 167771845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).