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

C11H13FN4S — CID 113344341

IUPAC6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nccs2)c1F
InChIInChI=1S/C11H13FN4S/c1-2-8-10(12)11(16-7-15-8)14-4-3-9-13-5-6-17-9/h5-7H,2-4H2,1H3,(H,14,15,16)
InChIKeyGVXYHZMRUPVPDP-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.29
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 113344341) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID113344341
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nccs2)c1F
InChIInChI=1S/C11H13FN4S/c1-2-8-10(12)11(16-7-15-8)14-4-3-9-13-5-6-17-9/h5-7H,2-4H2,1H3,(H,14,15,16)
InChIKeyGVXYHZMRUPVPDP-UHFFFAOYSA-N
XLogP2.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 113344341) is 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NCCc2nccs2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is GVXYHZMRUPVPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-2-8-10(12)11(16-7-15-8)14-4-3-9-13-5-6-17-9/h5-7H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 113344341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).