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

C11H13FN4OS — CID 80858501

IUPAC5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCNc1ncc(F)c(OCCc2scnc2C)n1
InChIInChI=1S/C11H13FN4OS/c1-7-9(18-6-15-7)3-4-17-10-8(12)5-14-11(13-2)16-10/h5-6H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyWFWNHEKRCVYNGQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.04
Rot. Bonds5

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

5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (PubChem CID 80858501) has the molecular formula C11H13FN4OS and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
PubChem CID80858501
Molecular FormulaC11H13FN4OS
Molecular Weight268.32 g/mol
Exact Mass268.08
IUPAC Name5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCNc1ncc(F)c(OCCc2scnc2C)n1
InChIInChI=1S/C11H13FN4OS/c1-7-9(18-6-15-7)3-4-17-10-8(12)5-14-11(13-2)16-10/h5-6H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyWFWNHEKRCVYNGQ-UHFFFAOYSA-N
XLogP2.04
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (CID 80858501) is 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is CNc1ncc(F)c(OCCc2scnc2C)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The InChIKey is WFWNHEKRCVYNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4OS/c1-7-9(18-6-15-7)3-4-17-10-8(12)5-14-11(13-2)16-10/h5-6H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 80858501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).