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

C12H15FN4OS — CID 137343316

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCCc1nc(C)sc1CNc1ncc(F)c(OC)n1
InChIInChI=1S/C12H15FN4OS/c1-4-9-10(19-7(2)16-9)6-15-12-14-5-8(13)11(17-12)18-3/h5H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyKDEDCQVTEFIAGH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds5

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 137343316) has the molecular formula C12H15FN4OS and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID137343316
Molecular FormulaC12H15FN4OS
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCCc1nc(C)sc1CNc1ncc(F)c(OC)n1
InChIInChI=1S/C12H15FN4OS/c1-4-9-10(19-7(2)16-9)6-15-12-14-5-8(13)11(17-12)18-3/h5H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyKDEDCQVTEFIAGH-UHFFFAOYSA-N
XLogP2.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (CID 137343316) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is CCc1nc(C)sc1CNc1ncc(F)c(OC)n1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is KDEDCQVTEFIAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4OS/c1-4-9-10(19-7(2)16-9)6-15-12-14-5-8(13)11(17-12)18-3/h5H,4,6H2,1-3H3,(H,14,15,17).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 282.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 137343316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).