methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate

C13H15N3O2S — CID 66287228

IUPACmethyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCc2cccs2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-8-11(16-12(15-9)13(17)18-2)14-6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeySBYIWSYHKYVPHN-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.29
Rot. Bonds5

About methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate (PubChem CID 66287228) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate
PubChem CID66287228
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCc2cccs2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-8-11(16-12(15-9)13(17)18-2)14-6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeySBYIWSYHKYVPHN-UHFFFAOYSA-N
XLogP2.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 43395312
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
CID 66285017
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
methyl 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66286050
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
CID 113470480

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate (CID 66287228) is methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCc2cccs2)n1.
What is the InChIKey of methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate?
The InChIKey is SBYIWSYHKYVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-8-11(16-12(15-9)13(17)18-2)14-6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66287228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).