N-benzyl-7H-purin-6-amine;7H-purine

C17H15N9 — CID 70256184

IUPACN-benzyl-7H-purin-6-amine;7H-purine
SMILESc1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H11N5.C5H4N4/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-4-5(8-2-6-1)9-3-7-4/h1-5,7-8H,6H2,(H2,13,14,15,16,17);1-3H,(H,6,7,8,9)
InChIKeyBGIPRCWGOJBTRE-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.32
Rot. Bonds3

About N-benzyl-7H-purin-6-amine;7H-purine

N-benzyl-7H-purin-6-amine;7H-purine (PubChem CID 70256184) has the molecular formula C17H15N9 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-benzyl-7H-purin-6-amine;7H-purine.

Molecular Properties

Compound NameN-benzyl-7H-purin-6-amine;7H-purine
PubChem CID70256184
Molecular FormulaC17H15N9
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-benzyl-7H-purin-6-amine;7H-purine
SMILESc1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H11N5.C5H4N4/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-4-5(8-2-6-1)9-3-7-4/h1-5,7-8H,6H2,(H2,13,14,15,16,17);1-3H,(H,6,7,8,9)
InChIKeyBGIPRCWGOJBTRE-UHFFFAOYSA-N
XLogP2.32
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
phenylmethoxymethylbenzene;7H-purine
CID 71212113
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine
CID 171679663
N-(2-benzylsulfanylethyl)-7H-purin-6-amine
CID 47174477
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7H-purin-6-amine;7H-purine?
The IUPAC name of N-benzyl-7H-purin-6-amine;7H-purine (CID 70256184) is N-benzyl-7H-purin-6-amine;7H-purine.
What is the SMILES notation for N-benzyl-7H-purin-6-amine;7H-purine?
The canonical SMILES for N-benzyl-7H-purin-6-amine;7H-purine is c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ncc2[nH]cnc2n1.
What is the InChIKey of N-benzyl-7H-purin-6-amine;7H-purine?
The InChIKey is BGIPRCWGOJBTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5.C5H4N4/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-4-5(8-2-6-1)9-3-7-4/h1-5,7-8H,6H2,(H2,13,14,15,16,17);1-3H,(H,6,7,8,9).
What are the key properties of N-benzyl-7H-purin-6-amine;7H-purine?
N-benzyl-7H-purin-6-amine;7H-purine has a molecular weight of 345.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7H-purin-6-amine;7H-purine is sourced from PubChem (CID 70256184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).