ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C13H16N4O2S — CID 700473

IUPACethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C)cc(C)n2)nc1C
InChIInChI=1S/C13H16N4O2S/c1-5-19-11(18)10-9(4)16-13(20-10)17-12-14-7(2)6-8(3)15-12/h6H,5H2,1-4H3,(H,14,15,16,17)
InChIKeyGXSBRJGMWGJKSW-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.78
Rot. Bonds4

About ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 700473) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID700473
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Nameethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C)cc(C)n2)nc1C
InChIInChI=1S/C13H16N4O2S/c1-5-19-11(18)10-9(4)16-13(20-10)17-12-14-7(2)6-8(3)15-12/h6H,5H2,1-4H3,(H,14,15,16,17)
InChIKeyGXSBRJGMWGJKSW-UHFFFAOYSA-N
XLogP2.78
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 700473) is ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2nc(C)cc(C)n2)nc1C.
What is the InChIKey of ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GXSBRJGMWGJKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-5-19-11(18)10-9(4)16-13(20-10)17-12-14-7(2)6-8(3)15-12/h6H,5H2,1-4H3,(H,14,15,16,17).
What are the key properties of ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 700473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).