2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

C15H12ClN7OS — CID 134481063

IUPAC2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2nccs2)c2[nH]c(OCc3ccccn3)nc2n1
InChIInChI=1S/C15H12ClN7OS/c16-14-21-12(19-7-10-18-5-6-25-10)11-13(22-14)23-15(20-11)24-8-9-3-1-2-4-17-9/h1-6H,7-8H2,(H2,19,20,21,22,23)
InChIKeyOAZXKBLMLCVJEC-UHFFFAOYSA-N
MW373.83 g/mol
LogP3.05
Rot. Bonds6

About 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (PubChem CID 134481063) has the molecular formula C15H12ClN7OS and a molecular weight of 373.83 g/mol. Its IUPAC name is 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
PubChem CID134481063
Molecular FormulaC15H12ClN7OS
Molecular Weight373.83 g/mol
Exact Mass373.05
IUPAC Name2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2nccs2)c2[nH]c(OCc3ccccn3)nc2n1
InChIInChI=1S/C15H12ClN7OS/c16-14-21-12(19-7-10-18-5-6-25-10)11-13(22-14)23-15(20-11)24-8-9-3-1-2-4-17-9/h1-6H,7-8H2,(H2,19,20,21,22,23)
InChIKeyOAZXKBLMLCVJEC-UHFFFAOYSA-N
XLogP3.05
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (CID 134481063) is 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is Clc1nc(NCc2nccs2)c2[nH]c(OCc3ccccn3)nc2n1.
What is the InChIKey of 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is OAZXKBLMLCVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7OS/c16-14-21-12(19-7-10-18-5-6-25-10)11-13(22-14)23-15(20-11)24-8-9-3-1-2-4-17-9/h1-6H,7-8H2,(H2,19,20,21,22,23).
What are the key properties of 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 373.83 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 134481063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).