6-methoxy-9-(1-phenylethyl)purine

C14H14N4O — CID 102458485

IUPAC6-methoxy-9-(1-phenylethyl)purine
SMILESCOc1ncnc2c1ncn2C(C)c1ccccc1
InChIInChI=1S/C14H14N4O/c1-10(11-6-4-3-5-7-11)18-9-17-12-13(18)15-8-16-14(12)19-2/h3-10H,1-2H3
InChIKeyOBFDNAIHTWDKNP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.44
Rot. Bonds3

About 6-methoxy-9-(1-phenylethyl)purine

6-methoxy-9-(1-phenylethyl)purine (PubChem CID 102458485) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-methoxy-9-(1-phenylethyl)purine.

Molecular Properties

Compound Name6-methoxy-9-(1-phenylethyl)purine
PubChem CID102458485
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-methoxy-9-(1-phenylethyl)purine
SMILESCOc1ncnc2c1ncn2C(C)c1ccccc1
InChIInChI=1S/C14H14N4O/c1-10(11-6-4-3-5-7-11)18-9-17-12-13(18)15-8-16-14(12)19-2/h3-10H,1-2H3
InChIKeyOBFDNAIHTWDKNP-UHFFFAOYSA-N
XLogP2.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone
CID 162667994
6-benzylsulfanyl-9-propan-2-ylpurine
CID 71424669
N-(9-benzhydrylpurin-6-yl)hydroxylamine
CID 53427874
6-methoxy-9-propa-1,2-dienylpurine
CID 102225006
[9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride
CID 11044960
6-chloro-9-(1-phenylpropan-2-yl)purine
CID 21152107
6-chloro-9-[(1R)-1-phenylprop-2-enyl]purine
CID 101478561
(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
CID 174723227
4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine
CID 139331961
3-phenyl-4-(1-phenylethyl)-1,2,4-triazole
CID 141287067
1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2,2-dimethoxyethanone
CID 167321275
2-phenyl-N-[3-(6-phenylmethoxypurin-9-yl)propyl]propan-1-amine
CID 45281101

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(1-phenylethyl)purine?
The IUPAC name of 6-methoxy-9-(1-phenylethyl)purine (CID 102458485) is 6-methoxy-9-(1-phenylethyl)purine.
What is the SMILES notation for 6-methoxy-9-(1-phenylethyl)purine?
The canonical SMILES for 6-methoxy-9-(1-phenylethyl)purine is COc1ncnc2c1ncn2C(C)c1ccccc1.
What is the InChIKey of 6-methoxy-9-(1-phenylethyl)purine?
The InChIKey is OBFDNAIHTWDKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10(11-6-4-3-5-7-11)18-9-17-12-13(18)15-8-16-14(12)19-2/h3-10H,1-2H3.
What are the key properties of 6-methoxy-9-(1-phenylethyl)purine?
6-methoxy-9-(1-phenylethyl)purine has a molecular weight of 254.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(1-phenylethyl)purine is sourced from PubChem (CID 102458485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).