2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol

C15H14N4O2S — CID 721859

IUPAC2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C15H14N4O2S/c1-8-18-12(7-22-8)11-6-17-15(16)19-14(11)10-4-3-9(21-2)5-13(10)20/h3-7,20H,1-2H3,(H2,16,17,19)
InChIKeyXYAQXIKXNTYRBV-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.87
Rot. Bonds3

About 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol

2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 721859) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID721859
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C15H14N4O2S/c1-8-18-12(7-22-8)11-6-17-15(16)19-14(11)10-4-3-9(21-2)5-13(10)20/h3-7,20H,1-2H3,(H2,16,17,19)
InChIKeyXYAQXIKXNTYRBV-UHFFFAOYSA-N
XLogP2.87
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol (CID 721859) is 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2nc(N)ncc2-c2csc(C)n2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is XYAQXIKXNTYRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-18-12(7-22-8)11-6-17-15(16)19-14(11)10-4-3-9(21-2)5-13(10)20/h3-7,20H,1-2H3,(H2,16,17,19).
What are the key properties of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 314.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol is sourced from PubChem (CID 721859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).