2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone

C20H16N4O2 — CID 15179829

IUPAC2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone
SMILESCOc1nc(CC(=O)c2ccccc2)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C20H16N4O2/c1-26-20-22-16(12-17(25)14-8-4-2-5-9-14)18-19(23-20)24(13-21-18)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyYZXNNIZKRCCRBH-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.25
Rot. Bonds5

About 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone

2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone (PubChem CID 15179829) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone
PubChem CID15179829
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone
SMILESCOc1nc(CC(=O)c2ccccc2)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C20H16N4O2/c1-26-20-22-16(12-17(25)14-8-4-2-5-9-14)18-19(23-20)24(13-21-18)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyYZXNNIZKRCCRBH-UHFFFAOYSA-N
XLogP3.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methoxypyrimidin-4-yl)-1-phenylethanone
CID 80752358
(9-benzyl-2-methoxypurin-6-yl)-phenylmethanone
CID 166453691
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
CID 134833852
1,3-dimethyl-7-phenacylpteridine-2,4-dione
CID 110171685
2-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1-phenylethanone
CID 122225438
N-(2-phenacyl-3-pyridinyl)acetamide;hydrochloride
CID 172746297
1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
CID 156773654
2-[3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]phenyl]-2-oxoethanesulfonamide
CID 174488764
1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone
CID 619121
2-(3-amino-2-pyridinyl)-1-phenylethanone
CID 90333679
9-phenylpurine-2,6-diamine;dihydrochloride
CID 141031122
[4-[6-[2-(4-methoxyphenyl)ethylamino]-9-phenylpurin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117091915

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone?
The IUPAC name of 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone (CID 15179829) is 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone is COc1nc(CC(=O)c2ccccc2)c2ncn(-c3ccccc3)c2n1.
What is the InChIKey of 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone?
The InChIKey is YZXNNIZKRCCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-20-22-16(12-17(25)14-8-4-2-5-9-14)18-19(23-20)24(13-21-18)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone?
2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone has a molecular weight of 344.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-9-phenylpurin-6-yl)-1-phenylethanone is sourced from PubChem (CID 15179829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).