5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine

C10H11FN4OS — CID 80858678

IUPAC5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCc1ncsc1CCOc1nc(N)ncc1F
InChIInChI=1S/C10H11FN4OS/c1-6-8(17-5-14-6)2-3-16-9-7(11)4-13-10(12)15-9/h4-5H,2-3H2,1H3,(H2,12,13,15)
InChIKeyXIEBLFNOZABJJL-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.58
Rot. Bonds4

About 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine

5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (PubChem CID 80858678) has the molecular formula C10H11FN4OS and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
PubChem CID80858678
Molecular FormulaC10H11FN4OS
Molecular Weight254.29 g/mol
Exact Mass254.06
IUPAC Name5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCc1ncsc1CCOc1nc(N)ncc1F
InChIInChI=1S/C10H11FN4OS/c1-6-8(17-5-14-6)2-3-16-9-7(11)4-13-10(12)15-9/h4-5H,2-3H2,1H3,(H2,12,13,15)
InChIKeyXIEBLFNOZABJJL-UHFFFAOYSA-N
XLogP1.58
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (CID 80858678) is 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is Cc1ncsc1CCOc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The InChIKey is XIEBLFNOZABJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4OS/c1-6-8(17-5-14-6)2-3-16-9-7(11)4-13-10(12)15-9/h4-5H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 80858678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).