N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide

C10H15N3O3S — CID 134264141

IUPACN-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCC(C)(CS(C)(=O)=O)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O3S/c1-10(2,6-17(3,15)16)13-9(14)8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyTVYJPXXQSVTTGM-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.03
Rot. Bonds4

About N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide

N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide (PubChem CID 134264141) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide
PubChem CID134264141
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCC(C)(CS(C)(=O)=O)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O3S/c1-10(2,6-17(3,15)16)13-9(14)8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyTVYJPXXQSVTTGM-UHFFFAOYSA-N
XLogP0.03
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide (CID 134264141) is N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide is CC(C)(CS(C)(=O)=O)NC(=O)c1cncnc1.
What is the InChIKey of N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is TVYJPXXQSVTTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,6-17(3,15)16)13-9(14)8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 257.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 134264141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).