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

C12H15FN4OS — CID 80858145

IUPACN-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCCc2scnc2C)n1
InChIInChI=1S/C12H15FN4OS/c1-3-14-12-15-6-9(13)11(17-12)18-5-4-10-8(2)16-7-19-10/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyCSMSLALMJPGCEG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.43
Rot. Bonds6

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

N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (PubChem CID 80858145) has the molecular formula C12H15FN4OS and a molecular weight of 282.34 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
PubChem CID80858145
Molecular FormulaC12H15FN4OS
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCCc2scnc2C)n1
InChIInChI=1S/C12H15FN4OS/c1-3-14-12-15-6-9(13)11(17-12)18-5-4-10-8(2)16-7-19-10/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyCSMSLALMJPGCEG-UHFFFAOYSA-N
XLogP2.43
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (CID 80858145) is N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is CCNc1ncc(F)c(OCCc2scnc2C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The InChIKey is CSMSLALMJPGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4OS/c1-3-14-12-15-6-9(13)11(17-12)18-5-4-10-8(2)16-7-19-10/h6-7H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine has a molecular weight of 282.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 80858145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).