9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride

C18H15Cl2N5 — CID 127258073

IUPAC9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
SMILESCl.Clc1nc(Nc2ccccc2)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C18H14ClN5.ClH/c19-18-22-16(21-14-9-5-2-6-10-14)15-17(23-18)24(12-20-15)11-13-7-3-1-4-8-13;/h1-10,12H,11H2,(H,21,22,23);1H
InChIKeyOQMABXXKKTZDON-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.69
Rot. Bonds4

About 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride

9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride (PubChem CID 127258073) has the molecular formula C18H15Cl2N5 and a molecular weight of 372.26 g/mol. Its IUPAC name is 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride.

Molecular Properties

Compound Name9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
PubChem CID127258073
Molecular FormulaC18H15Cl2N5
Molecular Weight372.26 g/mol
Exact Mass371.07
IUPAC Name9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
SMILESCl.Clc1nc(Nc2ccccc2)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C18H14ClN5.ClH/c19-18-22-16(21-14-9-5-2-6-10-14)15-17(23-18)24(12-20-15)11-13-7-3-1-4-8-13;/h1-10,12H,11H2,(H,21,22,23);1H
InChIKeyOQMABXXKKTZDON-UHFFFAOYSA-N
XLogP4.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-2-chloro-N-(3-propan-2-yloxyphenyl)purin-6-amine
CID 5271944
4-N-(9-benzyl-2-phenylpurin-6-yl)benzene-1,4-diamine
CID 25104892
6,9-dibenzyl-2-chloropurine
CID 11759453
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
(9-benzyl-2-chloropurin-6-yl)methanol
CID 11601518
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798
2-chloro-N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 11001320
7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine
CID 59322263
N-benzyl-2-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 24777799
3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]benzoic acid
CID 171621037
N-benzyl-9-[(1-benzyltriazol-4-yl)methyl]-2-chloropurin-6-amine
CID 56683479
(9-benzyl-2-chloropurin-6-yl)-trimethylstannane;9-benzyl-2,6-dichloropurine
CID 161477758

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride?
The IUPAC name of 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride (CID 127258073) is 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride.
What is the SMILES notation for 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride?
The canonical SMILES for 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride is Cl.Clc1nc(Nc2ccccc2)c2ncn(Cc3ccccc3)c2n1.
What is the InChIKey of 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride?
The InChIKey is OQMABXXKKTZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5.ClH/c19-18-22-16(21-14-9-5-2-6-10-14)15-17(23-18)24(12-20-15)11-13-7-3-1-4-8-13;/h1-10,12H,11H2,(H,21,22,23);1H.
What are the key properties of 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride?
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride has a molecular weight of 372.26 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride is sourced from PubChem (CID 127258073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).