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

C14H13FN4OS — CID 122133240

IUPAC6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2csc(-c3ccco3)n2)c1F
InChIInChI=1S/C14H13FN4OS/c1-2-10-12(15)13(18-8-17-10)16-6-9-7-21-14(19-9)11-4-3-5-20-11/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyMZHXKUFEZKGDNN-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.51
Rot. Bonds5

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

6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine (PubChem CID 122133240) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
PubChem CID122133240
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2csc(-c3ccco3)n2)c1F
InChIInChI=1S/C14H13FN4OS/c1-2-10-12(15)13(18-8-17-10)16-6-9-7-21-14(19-9)11-4-3-5-20-11/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyMZHXKUFEZKGDNN-UHFFFAOYSA-N
XLogP3.51
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine (CID 122133240) is 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine is CCc1ncnc(NCc2csc(-c3ccco3)n2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is MZHXKUFEZKGDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c1-2-10-12(15)13(18-8-17-10)16-6-9-7-21-14(19-9)11-4-3-5-20-11/h3-5,7-8H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 304.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 122133240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).