7-phenyl-9-pyridin-4-yl-8H-purine

C16H13N5 — CID 58556344

IUPAC7-phenyl-9-pyridin-4-yl-8H-purine
SMILESc1ccc(N2CN(c3ccncc3)c3ncncc32)cc1
InChIInChI=1S/C16H13N5/c1-2-4-13(5-3-1)20-12-21(14-6-8-17-9-7-14)16-15(20)10-18-11-19-16/h1-11H,12H2
InChIKeyGMXLAEQDPQGQSF-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.12
Rot. Bonds2

About 7-phenyl-9-pyridin-4-yl-8H-purine

7-phenyl-9-pyridin-4-yl-8H-purine (PubChem CID 58556344) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 7-phenyl-9-pyridin-4-yl-8H-purine.

Molecular Properties

Compound Name7-phenyl-9-pyridin-4-yl-8H-purine
PubChem CID58556344
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name7-phenyl-9-pyridin-4-yl-8H-purine
SMILESc1ccc(N2CN(c3ccncc3)c3ncncc32)cc1
InChIInChI=1S/C16H13N5/c1-2-4-13(5-3-1)20-12-21(14-6-8-17-9-7-14)16-15(20)10-18-11-19-16/h1-11H,12H2
InChIKeyGMXLAEQDPQGQSF-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-phenyl-9-pyridin-3-yl-8H-purine
CID 58556336
7-(2-methylphenyl)-9-phenyl-8H-purine
CID 58556269
6-ethyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743696
3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate
CID 174642432
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 172522404
1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 57148006
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
1,3-bis(4-fluorophenyl)-2H-imidazo[4,5-b]pyridine
CID 140596008
5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine
CID 90046118
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 65418435
5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine
CID 90076689
2,5-dimethyl-19-pyridin-4-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-3,6,8,10,13,15,17-heptaene
CID 134316781

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-9-pyridin-4-yl-8H-purine?
The IUPAC name of 7-phenyl-9-pyridin-4-yl-8H-purine (CID 58556344) is 7-phenyl-9-pyridin-4-yl-8H-purine.
What is the SMILES notation for 7-phenyl-9-pyridin-4-yl-8H-purine?
The canonical SMILES for 7-phenyl-9-pyridin-4-yl-8H-purine is c1ccc(N2CN(c3ccncc3)c3ncncc32)cc1.
What is the InChIKey of 7-phenyl-9-pyridin-4-yl-8H-purine?
The InChIKey is GMXLAEQDPQGQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-4-13(5-3-1)20-12-21(14-6-8-17-9-7-14)16-15(20)10-18-11-19-16/h1-11H,12H2.
What are the key properties of 7-phenyl-9-pyridin-4-yl-8H-purine?
7-phenyl-9-pyridin-4-yl-8H-purine has a molecular weight of 275.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-9-pyridin-4-yl-8H-purine is sourced from PubChem (CID 58556344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).