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

C20H16N4O2S — CID 1068818

IUPAC2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2csc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C20H16N4O2S/c1-26-13-7-8-14(17(25)9-13)18-15(10-22-20(21)24-18)16-11-27-19(23-16)12-5-3-2-4-6-12/h2-11,25H,1H3,(H2,21,22,24)
InChIKeyRGLQZDBEVMGEOM-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.23
Rot. Bonds4

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

2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 1068818) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID1068818
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2csc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C20H16N4O2S/c1-26-13-7-8-14(17(25)9-13)18-15(10-22-20(21)24-18)16-11-27-19(23-16)12-5-3-2-4-6-12/h2-11,25H,1H3,(H2,21,22,24)
InChIKeyRGLQZDBEVMGEOM-UHFFFAOYSA-N
XLogP4.23
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.23
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-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol (CID 1068818) is 2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2nc(N)ncc2-c2csc(-c3ccccc3)n2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is RGLQZDBEVMGEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-13-7-8-14(17(25)9-13)18-15(10-22-20(21)24-18)16-11-27-19(23-16)12-5-3-2-4-6-12/h2-11,25H,1H3,(H2,21,22,24).
What are the key properties of 2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 376.44 g/mol, XLogP of 4.23, 4 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-phenyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol is sourced from PubChem (CID 1068818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).