N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine

C17H22N8 — CID 126918139

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H22N8/c1-17(2,3)12-5-6-13(23-22-12)25-7-11(8-25)24(4)16-14-15(19-9-18-14)20-10-21-16/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20,21)
InChIKeyWKGMQIMVNXYCSG-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.77
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine (PubChem CID 126918139) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
PubChem CID126918139
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H22N8/c1-17(2,3)12-5-6-13(23-22-12)25-7-11(8-25)24(4)16-14-15(19-9-18-14)20-10-21-16/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20,21)
InChIKeyWKGMQIMVNXYCSG-UHFFFAOYSA-N
XLogP1.77
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine (CID 126918139) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine is CN(c1ncnc2nc[nH]c12)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine?
The InChIKey is WKGMQIMVNXYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-17(2,3)12-5-6-13(23-22-12)25-7-11(8-25)24(4)16-14-15(19-9-18-14)20-10-21-16/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20,21).
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine has a molecular weight of 338.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 126918139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).