6,9-dibenzyl-2-chloropurine

C19H15ClN4 — CID 11759453

IUPAC6,9-dibenzyl-2-chloropurine
SMILESClc1nc(Cc2ccccc2)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C19H15ClN4/c20-19-22-16(11-14-7-3-1-4-8-14)17-18(23-19)24(13-21-17)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyXYHNQBZWZIPCCB-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.12
Rot. Bonds4

About 6,9-dibenzyl-2-chloropurine

6,9-dibenzyl-2-chloropurine (PubChem CID 11759453) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 6,9-dibenzyl-2-chloropurine.

Molecular Properties

Compound Name6,9-dibenzyl-2-chloropurine
PubChem CID11759453
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name6,9-dibenzyl-2-chloropurine
SMILESClc1nc(Cc2ccccc2)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C19H15ClN4/c20-19-22-16(11-14-7-3-1-4-8-14)17-18(23-19)24(13-21-17)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyXYHNQBZWZIPCCB-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9-benzyl-2-chloropurin-6-yl)methanol
CID 11601518
6-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purine;bromozinc(1+);2,6-dichloro-9-[(4-methoxyphenyl)methyl]purine;methanidylbenzene
CID 161311648
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
(9-benzyl-2-chloropurin-6-yl)-trimethylstannane;9-benzyl-2,6-dichloropurine
CID 161477758
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
9-benzyl-2,6-diphenylpurine
CID 15499193
3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]benzoic acid
CID 171621037
2-[3-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]acetic acid
CID 23158671
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798
N-benzyl-2-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 24777799
2-chloro-9-[(2-chlorophenyl)methyl]-N-methylpurin-6-amine
CID 54051665
9-benzyl-2,6-dimethoxypurine
CID 141432217

Frequently Asked Questions

What is the IUPAC name of 6,9-dibenzyl-2-chloropurine?
The IUPAC name of 6,9-dibenzyl-2-chloropurine (CID 11759453) is 6,9-dibenzyl-2-chloropurine.
What is the SMILES notation for 6,9-dibenzyl-2-chloropurine?
The canonical SMILES for 6,9-dibenzyl-2-chloropurine is Clc1nc(Cc2ccccc2)c2ncn(Cc3ccccc3)c2n1.
What is the InChIKey of 6,9-dibenzyl-2-chloropurine?
The InChIKey is XYHNQBZWZIPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c20-19-22-16(11-14-7-3-1-4-8-14)17-18(23-19)24(13-21-17)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2.
What are the key properties of 6,9-dibenzyl-2-chloropurine?
6,9-dibenzyl-2-chloropurine has a molecular weight of 334.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dibenzyl-2-chloropurine is sourced from PubChem (CID 11759453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).