8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine

C19H22N4O3 — CID 153402974

IUPAC8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine
SMILESCOCc1nc2c(OCc3ccccc3)ncnc2n1C1CCCCO1
InChIInChI=1S/C19H22N4O3/c1-24-12-15-22-17-18(23(15)16-9-5-6-10-25-16)20-13-21-19(17)26-11-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3
InChIKeyCBZTZRQMRJVZIH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.25
Rot. Bonds6

About 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine

8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine (PubChem CID 153402974) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine.

Molecular Properties

Compound Name8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine
PubChem CID153402974
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine
SMILESCOCc1nc2c(OCc3ccccc3)ncnc2n1C1CCCCO1
InChIInChI=1S/C19H22N4O3/c1-24-12-15-22-17-18(23(15)16-9-5-6-10-25-16)20-13-21-19(17)26-11-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3
InChIKeyCBZTZRQMRJVZIH-UHFFFAOYSA-N
XLogP3.25
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-benzyl-8-methyl-9-(oxan-2-yl)purine
CID 170077319
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
ethyl 1-(oxan-2-yl)-5-phenylmethoxypyrazole-3-carboxylate
CID 156847124
9-(oxan-2-yl)-8-(2-phenylethynyl)-6-phenylsulfanylpurine
CID 134840059
3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol
CID 90897560
6-methyl-9-(oxan-2-yl)purine-8-carbaldehyde
CID 153403283
8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine
CID 69089530
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165228
9-[(3aS,4S,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-6-phenylmethoxypurine
CID 101076383
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
8-methyl-9-(oxan-2-yl)purine
CID 133062486

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine?
The IUPAC name of 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine (CID 153402974) is 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine.
What is the SMILES notation for 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine?
The canonical SMILES for 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine is COCc1nc2c(OCc3ccccc3)ncnc2n1C1CCCCO1.
What is the InChIKey of 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine?
The InChIKey is CBZTZRQMRJVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-24-12-15-22-17-18(23(15)16-9-5-6-10-25-16)20-13-21-19(17)26-11-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3.
What are the key properties of 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine?
8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine has a molecular weight of 354.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine is sourced from PubChem (CID 153402974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).