ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate

C10H15N3O4S — CID 67099878

IUPACethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H15N3O4S/c1-5-17-10(14)8-6-11-7(2)12-9(8)13(3)18(4,15)16/h6H,5H2,1-4H3
InChIKeyLQWQVHDBGQDIPJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.36
Rot. Bonds4

About ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate

ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate (PubChem CID 67099878) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
PubChem CID67099878
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Nameethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H15N3O4S/c1-5-17-10(14)8-6-11-7(2)12-9(8)13(3)18(4,15)16/h6H,5H2,1-4H3
InChIKeyLQWQVHDBGQDIPJ-UHFFFAOYSA-N
XLogP0.36
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 108775876
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate
CID 59517817
ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate
CID 108773733
ethyl 1-(4-methoxyphenyl)-5-[methyl(methylsulfonyl)amino]pyrazole-4-carboxylate
CID 10570059
4-(dimethylamino)-2-methylpyrimidine-5-carboxamide
CID 23423588
ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
CID 59517572
ethyl 6-bromo-3-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate
CID 90044112
ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate
CID 118685052
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate (CID 67099878) is ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1N(C)S(C)(=O)=O.
What is the InChIKey of ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate?
The InChIKey is LQWQVHDBGQDIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5-17-10(14)8-6-11-7(2)12-9(8)13(3)18(4,15)16/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate?
ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 67099878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).