6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine

C21H17N7 — CID 117087853

IUPAC6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
SMILESc1ccc(CNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1
InChIInChI=1S/C21H17N7/c1-2-5-14(6-3-1)12-23-19-18-20(25-13-24-19)28-21(27-18)26-16-8-9-17-15(11-16)7-4-10-22-17/h1-11,13H,12H2,(H3,23,24,25,26,27,28)
InChIKeyQIZRRYSAYRWUPI-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.26
Rot. Bonds5

About 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine

6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine (PubChem CID 117087853) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine.

Molecular Properties

Compound Name6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
PubChem CID117087853
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC Name6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
SMILESc1ccc(CNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1
InChIInChI=1S/C21H17N7/c1-2-5-14(6-3-1)12-23-19-18-20(25-13-24-19)28-21(27-18)26-16-8-9-17-15(11-16)7-4-10-22-17/h1-11,13H,12H2,(H3,23,24,25,26,27,28)
InChIKeyQIZRRYSAYRWUPI-UHFFFAOYSA-N
XLogP4.26
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117088681
1-[3-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084800
6-N-(pyridin-3-ylmethyl)-8-N-(3,4,5-trimethoxyphenyl)-7H-purine-6,8-diamine
CID 117092412
N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine
CID 59408936
2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
CID 135998458
6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine
CID 117093902
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine
CID 15230291
3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol
CID 89439792
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80802898
ethyl 6-(benzylamino)-7H-purine-8-carboxylate
CID 89439448
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
The IUPAC name of 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine (CID 117087853) is 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine.
What is the SMILES notation for 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
The canonical SMILES for 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine is c1ccc(CNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1.
What is the InChIKey of 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
The InChIKey is QIZRRYSAYRWUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7/c1-2-5-14(6-3-1)12-23-19-18-20(25-13-24-19)28-21(27-18)26-16-8-9-17-15(11-16)7-4-10-22-17/h1-11,13H,12H2,(H3,23,24,25,26,27,28).
What are the key properties of 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine has a molecular weight of 367.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine is sourced from PubChem (CID 117087853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).