2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid

C10H15N3O3S — CID 107554424

IUPAC2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCCS(=O)CCNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C10H15N3O3S/c1-3-17(16)5-4-11-10-12-7(2)6-8(13-10)9(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyXXYKTWHGLLDSIE-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.66
Rot. Bonds6

About 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid

2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554424) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554424
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCCS(=O)CCNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C10H15N3O3S/c1-3-17(16)5-4-11-10-12-7(2)6-8(13-10)9(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyXXYKTWHGLLDSIE-UHFFFAOYSA-N
XLogP0.66
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylsulfinylethylamino)pyrimidine-4-carboxylic acid
CID 107554425
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
6-methyl-2-(3-methylsulfonylpropylamino)pyrimidine-4-carboxylic acid
CID 107553393
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554351
4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553518
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
2-[2-(5-chlorothiophen-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 106042979

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid (CID 107554424) is 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid is CCS(=O)CCNc1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is XXYKTWHGLLDSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-17(16)5-4-11-10-12-7(2)6-8(13-10)9(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid?
2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).