9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine

C16H17N5O — CID 67326041

IUPAC9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine
SMILESCn1c(N2CCCC2)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C16H17N5O/c1-20-14-13(18-16(20)21-9-5-6-10-21)11-17-15(19-14)22-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyDPPBMDCGWRCCKP-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.76
Rot. Bonds3

About 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine

9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine (PubChem CID 67326041) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine.

Molecular Properties

Compound Name9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine
PubChem CID67326041
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine
SMILESCn1c(N2CCCC2)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C16H17N5O/c1-20-14-13(18-16(20)21-9-5-6-10-21)11-17-15(19-14)22-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyDPPBMDCGWRCCKP-UHFFFAOYSA-N
XLogP2.76
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-5-piperidin-1-ylpyrimidine
CID 150345244
4-methoxy-2-phenoxypyrimidin-5-amine
CID 153312423
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551198
8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one
CID 3235277
8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
CID 3233795
1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidin-1-ylpurine-2,6-dione
CID 30842756
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
CID 90854596
3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine
CID 126853049
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine?
The IUPAC name of 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine (CID 67326041) is 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine.
What is the SMILES notation for 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine?
The canonical SMILES for 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine is Cn1c(N2CCCC2)nc2cnc(Oc3ccccc3)nc21.
What is the InChIKey of 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine?
The InChIKey is DPPBMDCGWRCCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20-14-13(18-16(20)21-9-5-6-10-21)11-17-15(19-14)22-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine?
9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine has a molecular weight of 295.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-phenoxy-8-pyrrolidin-1-ylpurine is sourced from PubChem (CID 67326041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).