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

C16H16N4O2S — CID 947376

IUPAC2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2nc(N)ncc2-c2cscn2)c(O)cc1OC
InChIInChI=1S/C16H16N4O2S/c1-3-9-4-10(13(21)5-14(9)22-2)15-11(6-18-16(17)20-15)12-7-23-8-19-12/h4-8,21H,3H2,1-2H3,(H2,17,18,20)
InChIKeyKIUHXTNKJPHPJU-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.13
Rot. Bonds4

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

2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol (PubChem CID 947376) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol
PubChem CID947376
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2nc(N)ncc2-c2cscn2)c(O)cc1OC
InChIInChI=1S/C16H16N4O2S/c1-3-9-4-10(13(21)5-14(9)22-2)15-11(6-18-16(17)20-15)12-7-23-8-19-12/h4-8,21H,3H2,1-2H3,(H2,17,18,20)
InChIKeyKIUHXTNKJPHPJU-UHFFFAOYSA-N
XLogP3.13
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.13
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-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol (CID 947376) is 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol is CCc1cc(-c2nc(N)ncc2-c2cscn2)c(O)cc1OC.
What is the InChIKey of 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol?
The InChIKey is KIUHXTNKJPHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-9-4-10(13(21)5-14(9)22-2)15-11(6-18-16(17)20-15)12-7-23-8-19-12/h4-8,21H,3H2,1-2H3,(H2,17,18,20).
What are the key properties of 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol?
2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol has a molecular weight of 328.40 g/mol, XLogP of 3.13, 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-(1,3-thiazol-4-yl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenol is sourced from PubChem (CID 947376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).