ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate

C13H15N3O2S — CID 116647754

IUPACethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cscc2C)nc1N
InChIInChI=1S/C13H15N3O2S/c1-4-18-13(17)10-8(3)15-12(16-11(10)14)9-6-19-5-7(9)2/h5-6H,4H2,1-3H3,(H2,14,15,16)
InChIKeyORUVJRMSMWFANM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.58
Rot. Bonds3

About ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate (PubChem CID 116647754) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate
PubChem CID116647754
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Nameethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cscc2C)nc1N
InChIInChI=1S/C13H15N3O2S/c1-4-18-13(17)10-8(3)15-12(16-11(10)14)9-6-19-5-7(9)2/h5-6H,4H2,1-3H3,(H2,14,15,16)
InChIKeyORUVJRMSMWFANM-UHFFFAOYSA-N
XLogP2.58
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
ethyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916076
4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
CID 116648136
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771
ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 116647711
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 66746516
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 4-amino-6-methyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647749
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate (CID 116647754) is ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2cscc2C)nc1N.
What is the InChIKey of ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate?
The InChIKey is ORUVJRMSMWFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-18-13(17)10-8(3)15-12(16-11(10)14)9-6-19-5-7(9)2/h5-6H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116647754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).