8-methoxy-6-phenyl-7H-purine

C12H10N4O — CID 11390499

IUPAC8-methoxy-6-phenyl-7H-purine
SMILESCOc1nc2ncnc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C12H10N4O/c1-17-12-15-10-9(8-5-3-2-4-6-8)13-7-14-11(10)16-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyRJJAVIOTFFJTLR-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.03
Rot. Bonds2

About 8-methoxy-6-phenyl-7H-purine

8-methoxy-6-phenyl-7H-purine (PubChem CID 11390499) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 8-methoxy-6-phenyl-7H-purine.

Molecular Properties

Compound Name8-methoxy-6-phenyl-7H-purine
PubChem CID11390499
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name8-methoxy-6-phenyl-7H-purine
SMILESCOc1nc2ncnc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C12H10N4O/c1-17-12-15-10-9(8-5-3-2-4-6-8)13-7-14-11(10)16-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyRJJAVIOTFFJTLR-UHFFFAOYSA-N
XLogP2.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-8-propan-2-yl-7H-purine
CID 58159009
2-methoxy-7-methyl-1H-imidazo[4,5-b]pyridine
CID 22067363
(4-methoxy-6-phenylpyrimidin-5-yl)methanamine
CID 105468562
2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904333
8-(4-methoxyphenyl)-6-phenylsulfanyl-7H-purine
CID 118537732
6-chloro-8-phenyl-7H-purine
CID 15363167
8-methyl-2,6-diphenyl-7H-purine
CID 11254681
6-chloro-8-(3-methoxyphenyl)-7H-purine
CID 24903924
calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine
CID 174521713
8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117094362
3-methoxy-5-phenylimidazol-4-amine
CID 28901592
2-methoxy-4,6-diphenylpyrimidin-5-amine
CID 624065

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-phenyl-7H-purine?
The IUPAC name of 8-methoxy-6-phenyl-7H-purine (CID 11390499) is 8-methoxy-6-phenyl-7H-purine.
What is the SMILES notation for 8-methoxy-6-phenyl-7H-purine?
The canonical SMILES for 8-methoxy-6-phenyl-7H-purine is COc1nc2ncnc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 8-methoxy-6-phenyl-7H-purine?
The InChIKey is RJJAVIOTFFJTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-12-15-10-9(8-5-3-2-4-6-8)13-7-14-11(10)16-12/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of 8-methoxy-6-phenyl-7H-purine?
8-methoxy-6-phenyl-7H-purine has a molecular weight of 226.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-phenyl-7H-purine is sourced from PubChem (CID 11390499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).