pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate

C11H11N3O2S — CID 55108746

IUPACpyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCc2ncccn2)cc1N
InChIInChI=1S/C11H11N3O2S/c1-7-8(12)5-9(17-7)11(15)16-6-10-13-3-2-4-14-10/h2-5H,6,12H2,1H3
InChIKeyJXZCJPZHISRMIO-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.79
Rot. Bonds3

About pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate

pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 55108746) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namepyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID55108746
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namepyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCc2ncccn2)cc1N
InChIInChI=1S/C11H11N3O2S/c1-7-8(12)5-9(17-7)11(15)16-6-10-13-3-2-4-14-10/h2-5H,6,12H2,1H3
InChIKeyJXZCJPZHISRMIO-UHFFFAOYSA-N
XLogP1.79
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316008
1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 112643735
(3-chlorophenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 61314686
3,3-dimethylbutyl 4-amino-5-methylthiophene-2-carboxylate
CID 61481561
cyanomethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316963
3-(4-amino-5-methylthiophene-2-carbonyl)oxy-2,2-dimethylpropanoic acid
CID 79620176
(1-propan-2-ylpyrazol-3-yl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 64772473
(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 62162231
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 115334073
2-(trifluoromethylsulfanyl)ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 116617274
pyrimidin-2-ylmethyl 2-amino-3-methylbenzoate
CID 62700152

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate (CID 55108746) is pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCc2ncccn2)cc1N.
What is the InChIKey of pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is JXZCJPZHISRMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-8(12)5-9(17-7)11(15)16-6-10-13-3-2-4-14-10/h2-5H,6,12H2,1H3.
What are the key properties of pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 55108746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).