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

C17H18N4O2S — CID 4664162

IUPAC2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2nc(N)ncc2-c2csc(C)n2)c(O)cc1OC
InChIInChI=1S/C17H18N4O2S/c1-4-10-5-11(14(22)6-15(10)23-3)16-12(7-19-17(18)21-16)13-8-24-9(2)20-13/h5-8,22H,4H2,1-3H3,(H2,18,19,21)
InChIKeyWLEJBNDNUWNNOY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.43
Rot. Bonds4

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

2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol (PubChem CID 4664162) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol
PubChem CID4664162
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2nc(N)ncc2-c2csc(C)n2)c(O)cc1OC
InChIInChI=1S/C17H18N4O2S/c1-4-10-5-11(14(22)6-15(10)23-3)16-12(7-19-17(18)21-16)13-8-24-9(2)20-13/h5-8,22H,4H2,1-3H3,(H2,18,19,21)
InChIKeyWLEJBNDNUWNNOY-UHFFFAOYSA-N
XLogP3.43
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.43
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]-4-ethyl-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol (CID 4664162) is 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol is CCc1cc(-c2nc(N)ncc2-c2csc(C)n2)c(O)cc1OC.
What is the InChIKey of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol?
The InChIKey is WLEJBNDNUWNNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-10-5-11(14(22)6-15(10)23-3)16-12(7-19-17(18)21-16)13-8-24-9(2)20-13/h5-8,22H,4H2,1-3H3,(H2,18,19,21).
What are the key properties of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol?
2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol has a molecular weight of 342.42 g/mol, XLogP of 3.43, 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-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol is sourced from PubChem (CID 4664162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).