2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C15H8Cl2N6S — CID 66801311

IUPAC2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESClc1cccc(Cl)c1-c1nc2ncnc(Nc3ccncn3)c2s1
InChIInChI=1S/C15H8Cl2N6S/c16-8-2-1-3-9(17)11(8)15-23-14-12(24-15)13(20-7-21-14)22-10-4-5-18-6-19-10/h1-7H,(H,18,19,20,21,22)
InChIKeyBEWJBHLPZJXHQW-UHFFFAOYSA-N
MW375.24 g/mol
LogP4.59
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 66801311) has the molecular formula C15H8Cl2N6S and a molecular weight of 375.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID66801311
Molecular FormulaC15H8Cl2N6S
Molecular Weight375.24 g/mol
Exact Mass373.99
IUPAC Name2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESClc1cccc(Cl)c1-c1nc2ncnc(Nc3ccncn3)c2s1
InChIInChI=1S/C15H8Cl2N6S/c16-8-2-1-3-9(17)11(8)15-23-14-12(24-15)13(20-7-21-14)22-10-4-5-18-6-19-10/h1-7H,(H,18,19,20,21,22)
InChIKeyBEWJBHLPZJXHQW-UHFFFAOYSA-N
XLogP4.59
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 66801311) is 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is Clc1cccc(Cl)c1-c1nc2ncnc(Nc3ccncn3)c2s1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BEWJBHLPZJXHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N6S/c16-8-2-1-3-9(17)11(8)15-23-14-12(24-15)13(20-7-21-14)22-10-4-5-18-6-19-10/h1-7H,(H,18,19,20,21,22).
What are the key properties of 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 375.24 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 66801311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).