3-benzyl-7-methoxypurin-6-imine

C13H13N5O — CID 10753502

IUPAC3-benzyl-7-methoxypurin-6-imine
SMILES[H]/N=c1\ncn(Cc2ccccc2)c2ncn(OC)c12
InChIInChI=1S/C13H13N5O/c1-19-18-9-16-13-11(18)12(14)15-8-17(13)7-10-5-3-2-4-6-10/h2-6,8-9,14H,7H2,1H3/b14-12-
InChIKeyFWVHJZOVYVQGST-OWBHPGMISA-N
MW255.28 g/mol
LogP0.82
Rot. Bonds3

About 3-benzyl-7-methoxypurin-6-imine

3-benzyl-7-methoxypurin-6-imine (PubChem CID 10753502) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-benzyl-7-methoxypurin-6-imine.

Molecular Properties

Compound Name3-benzyl-7-methoxypurin-6-imine
PubChem CID10753502
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-benzyl-7-methoxypurin-6-imine
SMILES[H]/N=c1\ncn(Cc2ccccc2)c2ncn(OC)c12
InChIInChI=1S/C13H13N5O/c1-19-18-9-16-13-11(18)12(14)15-8-17(13)7-10-5-3-2-4-6-10/h2-6,8-9,14H,7H2,1H3/b14-12-
InChIKeyFWVHJZOVYVQGST-OWBHPGMISA-N
XLogP0.82
TPSA68.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-7-methoxypurin-6-imine
CID 10845451
3-benzyl-6-imino-7-methyl-9H-purin-8-one
CID 135460769
3-benzyl-8-[2-(4-chlorophenoxy)ethylsulfanyl]-7H-purin-6-imine
CID 135475135
3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-propan-2-yl-7H-purin-6-imine;hydrochloride
CID 135815292
9-benzyl-2,6-dimethoxypurine
CID 141432217
methyl 1-benzyl-6-iminopyridine-3-carboxylate
CID 23470923
3-benzylimidazo[4,5-b]pyridine
CID 11009167
methyl 2-(1-benzyl-4-methyl-9-oxoimidazo[1,2-a]purin-7-yl)-2-oxoacetate
CID 10570836
3-[(2-methylphenyl)methyl]-7H-purin-6-imine
CID 135435061
(9-benzyl-2-chloropurin-6-yl)methanol
CID 11601518
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
3-benzyl-5-ethylimidazole-4-carboxylic acid
CID 130117883

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methoxypurin-6-imine?
The IUPAC name of 3-benzyl-7-methoxypurin-6-imine (CID 10753502) is 3-benzyl-7-methoxypurin-6-imine.
What is the SMILES notation for 3-benzyl-7-methoxypurin-6-imine?
The canonical SMILES for 3-benzyl-7-methoxypurin-6-imine is [H]/N=c1\ncn(Cc2ccccc2)c2ncn(OC)c12.
What is the InChIKey of 3-benzyl-7-methoxypurin-6-imine?
The InChIKey is FWVHJZOVYVQGST-OWBHPGMISA-N. The full InChI is InChI=1S/C13H13N5O/c1-19-18-9-16-13-11(18)12(14)15-8-17(13)7-10-5-3-2-4-6-10/h2-6,8-9,14H,7H2,1H3/b14-12-.
What are the key properties of 3-benzyl-7-methoxypurin-6-imine?
3-benzyl-7-methoxypurin-6-imine has a molecular weight of 255.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methoxypurin-6-imine is sourced from PubChem (CID 10753502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).