methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate

C11H17N3O4S — CID 66286088

IUPACmethyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C11H17N3O4S/c1-7-5-9(12-8(2)6-19(4,16)17)14-10(13-7)11(15)18-3/h5,8H,6H2,1-4H3,(H,12,13,14)
InChIKeyWGZKYNMMQCMBMX-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.42
Rot. Bonds5

About methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate (PubChem CID 66286088) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
PubChem CID66286088
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C11H17N3O4S/c1-7-5-9(12-8(2)6-19(4,16)17)14-10(13-7)11(15)18-3/h5,8H,6H2,1-4H3,(H,12,13,14)
InChIKeyWGZKYNMMQCMBMX-UHFFFAOYSA-N
XLogP0.42
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate (CID 66286088) is methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NC(C)CS(C)(=O)=O)n1.
What is the InChIKey of methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
The InChIKey is WGZKYNMMQCMBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7-5-9(12-8(2)6-19(4,16)17)14-10(13-7)11(15)18-3/h5,8H,6H2,1-4H3,(H,12,13,14).
What are the key properties of methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66286088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).