2-N-quinolin-6-yl-7H-purine-2,6-diamine

C14H11N7 — CID 117084904

IUPAC2-N-quinolin-6-yl-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C14H11N7/c15-12-11-13(18-7-17-11)21-14(20-12)19-9-3-4-10-8(6-9)2-1-5-16-10/h1-7H,(H4,15,17,18,19,20,21)
InChIKeyYSZDJRFPKLEUMU-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.23
Rot. Bonds2

About 2-N-quinolin-6-yl-7H-purine-2,6-diamine

2-N-quinolin-6-yl-7H-purine-2,6-diamine (PubChem CID 117084904) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-N-quinolin-6-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-quinolin-6-yl-7H-purine-2,6-diamine
PubChem CID117084904
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2-N-quinolin-6-yl-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C14H11N7/c15-12-11-13(18-7-17-11)21-14(20-12)19-9-3-4-10-8(6-9)2-1-5-16-10/h1-7H,(H4,15,17,18,19,20,21)
InChIKeyYSZDJRFPKLEUMU-UHFFFAOYSA-N
XLogP2.23
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The IUPAC name of 2-N-quinolin-6-yl-7H-purine-2,6-diamine (CID 117084904) is 2-N-quinolin-6-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-quinolin-6-yl-7H-purine-2,6-diamine is Nc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12.
What is the InChIKey of 2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The InChIKey is YSZDJRFPKLEUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c15-12-11-13(18-7-17-11)21-14(20-12)19-9-3-4-10-8(6-9)2-1-5-16-10/h1-7H,(H4,15,17,18,19,20,21).
What are the key properties of 2-N-quinolin-6-yl-7H-purine-2,6-diamine?
2-N-quinolin-6-yl-7H-purine-2,6-diamine has a molecular weight of 277.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-quinolin-6-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 117084904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).