2-benzyl-8-methylpurin-9-amine

C13H13N5 — CID 161294878

IUPAC2-benzyl-8-methylpurin-9-amine
SMILESCc1nc2cnc(Cc3ccccc3)nc2n1N
InChIInChI=1S/C13H13N5/c1-9-16-11-8-15-12(17-13(11)18(9)14)7-10-5-3-2-4-6-10/h2-6,8H,7,14H2,1H3
InChIKeyVGVMYHDCAVSPRT-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.44
Rot. Bonds2

About 2-benzyl-8-methylpurin-9-amine

2-benzyl-8-methylpurin-9-amine (PubChem CID 161294878) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-benzyl-8-methylpurin-9-amine.

Molecular Properties

Compound Name2-benzyl-8-methylpurin-9-amine
PubChem CID161294878
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-benzyl-8-methylpurin-9-amine
SMILESCc1nc2cnc(Cc3ccccc3)nc2n1N
InChIInChI=1S/C13H13N5/c1-9-16-11-8-15-12(17-13(11)18(9)14)7-10-5-3-2-4-6-10/h2-6,8H,7,14H2,1H3
InChIKeyVGVMYHDCAVSPRT-UHFFFAOYSA-N
XLogP1.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
2-benzyl-6-methylpurin-9-amine
CID 175037804
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine
CID 151903382
2-benzyl-4-methyl-1,3,5-triazine
CID 76608302
2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
2-benzylpyrimidine
CID 13143744
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
9-(4-benzylphenoxy)-2-ethylpurine
CID 67649040
2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
2,4-dibenzylpyrimidine
CID 59375877
2-benzyl-5-iodo-N-methylpyrimidin-4-amine
CID 66304334

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-methylpurin-9-amine?
The IUPAC name of 2-benzyl-8-methylpurin-9-amine (CID 161294878) is 2-benzyl-8-methylpurin-9-amine.
What is the SMILES notation for 2-benzyl-8-methylpurin-9-amine?
The canonical SMILES for 2-benzyl-8-methylpurin-9-amine is Cc1nc2cnc(Cc3ccccc3)nc2n1N.
What is the InChIKey of 2-benzyl-8-methylpurin-9-amine?
The InChIKey is VGVMYHDCAVSPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-16-11-8-15-12(17-13(11)18(9)14)7-10-5-3-2-4-6-10/h2-6,8H,7,14H2,1H3.
What are the key properties of 2-benzyl-8-methylpurin-9-amine?
2-benzyl-8-methylpurin-9-amine has a molecular weight of 239.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-methylpurin-9-amine is sourced from PubChem (CID 161294878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).