7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine

C12H14N6 — CID 158767176

IUPAC7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine
SMILESCc1nccnc1N1c2ncncc2N(C)C1C
InChIInChI=1S/C12H14N6/c1-8-11(15-5-4-14-8)18-9(2)17(3)10-6-13-7-16-12(10)18/h4-7,9H,1-3H3
InChIKeyUFJMIUZQMRLOLZ-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.51
Rot. Bonds1

About 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine

7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine (PubChem CID 158767176) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine.

Molecular Properties

Compound Name7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine
PubChem CID158767176
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine
SMILESCc1nccnc1N1c2ncncc2N(C)C1C
InChIInChI=1S/C12H14N6/c1-8-11(15-5-4-14-8)18-9(2)17(3)10-6-13-7-16-12(10)18/h4-7,9H,1-3H3
InChIKeyUFJMIUZQMRLOLZ-UHFFFAOYSA-N
XLogP1.51
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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5-[2-(7,8-dimethyl-8H-purin-9-yl)phenyl]-3b-methyl-1-(2,4,6-trimethylphenyl)-7,7a-dihydro-4H-phenanthro[9,10-b]pyrrole
CID 126760112
(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
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(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;ethane
CID 158803823
8-[[2-(7,8-dimethyl-8H-purin-9-yl)phenyl]methyl]-9,9-diethyl-6-methyl-20-oxa-3,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),4,11,14,16,18-heptaene
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3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline
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5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
CID 139460775
5,7,7,9-tetramethylpyrimido[4,5-b][1,4]diazepine-6,8-dione
CID 10331588
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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine?
The IUPAC name of 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine (CID 158767176) is 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine.
What is the SMILES notation for 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine?
The canonical SMILES for 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine is Cc1nccnc1N1c2ncncc2N(C)C1C.
What is the InChIKey of 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine?
The InChIKey is UFJMIUZQMRLOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-8-11(15-5-4-14-8)18-9(2)17(3)10-6-13-7-16-12(10)18/h4-7,9H,1-3H3.
What are the key properties of 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine?
7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine has a molecular weight of 242.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine is sourced from PubChem (CID 158767176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).