N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine

C16H15N7 — CID 133309760

IUPACN'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine
SMILESc1ccc2nc(NCCNc3ncnc4nc[nH]c34)ccc2c1
InChIInChI=1S/C16H15N7/c1-2-4-12-11(3-1)5-6-13(23-12)17-7-8-18-15-14-16(20-9-19-14)22-10-21-15/h1-6,9-10H,7-8H2,(H,17,23)(H2,18,19,20,21,22)
InChIKeyUVTAHQKXKVPQLU-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.43
Rot. Bonds5

About N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine

N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine (PubChem CID 133309760) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine
PubChem CID133309760
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC NameN'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine
SMILESc1ccc2nc(NCCNc3ncnc4nc[nH]c34)ccc2c1
InChIInChI=1S/C16H15N7/c1-2-4-12-11(3-1)5-6-13(23-12)17-7-8-18-15-14-16(20-9-19-14)22-10-21-15/h1-6,9-10H,7-8H2,(H,17,23)(H2,18,19,20,21,22)
InChIKeyUVTAHQKXKVPQLU-UHFFFAOYSA-N
XLogP2.43
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-(2-benzylsulfanylethyl)-7H-purin-6-amine
CID 47174477
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(7H-purin-6-ylamino)methanol
CID 86209273
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547

Frequently Asked Questions

What is the IUPAC name of N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine?
The IUPAC name of N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine (CID 133309760) is N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine is c1ccc2nc(NCCNc3ncnc4nc[nH]c34)ccc2c1.
What is the InChIKey of N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine?
The InChIKey is UVTAHQKXKVPQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-2-4-12-11(3-1)5-6-13(23-12)17-7-8-18-15-14-16(20-9-19-14)22-10-21-15/h1-6,9-10H,7-8H2,(H,17,23)(H2,18,19,20,21,22).
What are the key properties of N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine?
N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine has a molecular weight of 305.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 133309760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).