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

C10H15N3O4S — CID 66286282

IUPACmethyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C10H15N3O4S/c1-7(6-18(3,15)16)12-8-4-5-11-9(13-8)10(14)17-2/h4-5,7H,6H2,1-3H3,(H,11,12,13)
InChIKeyUZPCYSAYZTWZHI-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.11
Rot. Bonds5

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

methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate (PubChem CID 66286282) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
PubChem CID66286282
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C10H15N3O4S/c1-7(6-18(3,15)16)12-8-4-5-11-9(13-8)10(14)17-2/h4-5,7H,6H2,1-3H3,(H,11,12,13)
InChIKeyUZPCYSAYZTWZHI-UHFFFAOYSA-N
XLogP0.11
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286088
methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
CID 66285647
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
methyl 4-(1-methylsulfonylpropan-2-ylamino)benzoate
CID 64628913
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64630804
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
methyl 4-(4-propan-2-yloxybutylamino)pyrimidine-2-carboxylate
CID 106012538
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate
CID 167757583
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate (CID 66286282) is methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate is COC(=O)c1nccc(NC(C)CS(C)(=O)=O)n1.
What is the InChIKey of methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
The InChIKey is UZPCYSAYZTWZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(6-18(3,15)16)12-8-4-5-11-9(13-8)10(14)17-2/h4-5,7H,6H2,1-3H3,(H,11,12,13).
What are the key properties of methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate?
methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66286282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).