(9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride

C19H24ClN5 — CID 10882854

IUPAC(9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride
SMILESC[NH2+]c1nc(C2CCCCC2)nc2c1ncn2Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H23N5.ClH/c1-20-18-16-19(23-17(22-18)15-10-6-3-7-11-15)24(13-21-16)12-14-8-4-2-5-9-14;/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,20,22,23);1H
InChIKeyNTVWBUBGJXQIED-UHFFFAOYSA-N
MW357.89 g/mol
LogP-0.25
Rot. Bonds4

About (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride

(9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride (PubChem CID 10882854) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride.

Molecular Properties

Compound Name(9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride
PubChem CID10882854
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name(9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride
SMILESC[NH2+]c1nc(C2CCCCC2)nc2c1ncn2Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H23N5.ClH/c1-20-18-16-19(23-17(22-18)15-10-6-3-7-11-15)24(13-21-16)12-14-8-4-2-5-9-14;/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,20,22,23);1H
InChIKeyNTVWBUBGJXQIED-UHFFFAOYSA-N
XLogP-0.25
TPSA60.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[9-benzyl-2-(2-phenylethyl)purin-6-yl]-methylazanium chloride
CID 11731662
3-benzyl-6,7,8,9-tetrahydro-5H-azepino[1,2-a]purin-11-one
CID 175204721
9-benzyl-2,6-dimethoxypurine
CID 141432217
6,9-dibenzyl-2-chloropurine
CID 11759453
9-benzyl-2,6-diphenylpurine
CID 15499193
9-benzyl-N-cyclopropylpurin-6-amine
CID 14022446
(9-benzyl-2-chloropurin-6-yl)methanol
CID 11601518
3-benzylimidazo[4,5-b]pyridine
CID 11009167
(9-benzyl-2-chloropurin-6-yl)-trimethylstannane;9-benzyl-2,6-dichloropurine
CID 161477758
1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
9-benzyl-2-N-propylpurine-2,6-diamine
CID 18332707
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride?
The IUPAC name of (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride (CID 10882854) is (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride.
What is the SMILES notation for (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride?
The canonical SMILES for (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride is C[NH2+]c1nc(C2CCCCC2)nc2c1ncn2Cc1ccccc1.[Cl-].
What is the InChIKey of (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride?
The InChIKey is NTVWBUBGJXQIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.ClH/c1-20-18-16-19(23-17(22-18)15-10-6-3-7-11-15)24(13-21-16)12-14-8-4-2-5-9-14;/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,20,22,23);1H.
What are the key properties of (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride?
(9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride has a molecular weight of 357.89 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride is sourced from PubChem (CID 10882854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).