2-benzyl-6-methylpurin-9-amine

C13H13N5 — CID 175037804

IUPAC2-benzyl-6-methylpurin-9-amine
SMILESCc1nc(Cc2ccccc2)nc2c1ncn2N
InChIInChI=1S/C13H13N5/c1-9-12-13(18(14)8-15-12)17-11(16-9)7-10-5-3-2-4-6-10/h2-6,8H,7,14H2,1H3
InChIKeyRNLPBSQKPLZNHP-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.44
Rot. Bonds2

About 2-benzyl-6-methylpurin-9-amine

2-benzyl-6-methylpurin-9-amine (PubChem CID 175037804) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-benzyl-6-methylpurin-9-amine.

Molecular Properties

Compound Name2-benzyl-6-methylpurin-9-amine
PubChem CID175037804
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-benzyl-6-methylpurin-9-amine
SMILESCc1nc(Cc2ccccc2)nc2c1ncn2N
InChIInChI=1S/C13H13N5/c1-9-12-13(18(14)8-15-12)17-11(16-9)7-10-5-3-2-4-6-10/h2-6,8H,7,14H2,1H3
InChIKeyRNLPBSQKPLZNHP-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

(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
6-benzylpurin-9-amine;copper
CID 174669036
2-benzyl-8-methylpurin-9-amine
CID 161294878
2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
4-benzyl-10-butyl-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898326
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630
2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
2-benzyl-4-methyl-1,3,5-triazine
CID 76608302
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
2-benzylpyrimidine
CID 13143744
2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 935590

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methylpurin-9-amine?
The IUPAC name of 2-benzyl-6-methylpurin-9-amine (CID 175037804) is 2-benzyl-6-methylpurin-9-amine.
What is the SMILES notation for 2-benzyl-6-methylpurin-9-amine?
The canonical SMILES for 2-benzyl-6-methylpurin-9-amine is Cc1nc(Cc2ccccc2)nc2c1ncn2N.
What is the InChIKey of 2-benzyl-6-methylpurin-9-amine?
The InChIKey is RNLPBSQKPLZNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-12-13(18(14)8-15-12)17-11(16-9)7-10-5-3-2-4-6-10/h2-6,8H,7,14H2,1H3.
What are the key properties of 2-benzyl-6-methylpurin-9-amine?
2-benzyl-6-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-6-methylpurin-9-amine is sourced from PubChem (CID 175037804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).