4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C10H17N3O3S — CID 136974229

IUPAC4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCS(C)(=O)=O)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-7(2)10-12-8(6-9(14)13-10)11-4-5-17(3,15)16/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyIUTJXVUQFPLVSF-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.35
Rot. Bonds5

About 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136974229) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136974229
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCS(C)(=O)=O)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-7(2)10-12-8(6-9(14)13-10)11-4-5-17(3,15)16/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyIUTJXVUQFPLVSF-UHFFFAOYSA-N
XLogP0.35
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methylpropoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016699
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764967
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973860
methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136974229) is 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCS(C)(=O)=O)cc(=O)[nH]1.
What is the InChIKey of 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is IUTJXVUQFPLVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7(2)10-12-8(6-9(14)13-10)11-4-5-17(3,15)16/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 259.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).