N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine

C11H19N3O2S — CID 106723335

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCc1nccc(CNCCS(=O)(=O)C(C)C)n1
InChIInChI=1S/C11H19N3O2S/c1-9(2)17(15,16)7-6-12-8-11-4-5-13-10(3)14-11/h4-5,9,12H,6-8H2,1-3H3
InChIKeyLEQMXVWFIZPXBK-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.70
Rot. Bonds6

About N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine (PubChem CID 106723335) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
PubChem CID106723335
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCc1nccc(CNCCS(=O)(=O)C(C)C)n1
InChIInChI=1S/C11H19N3O2S/c1-9(2)17(15,16)7-6-12-8-11-4-5-13-10(3)14-11/h4-5,9,12H,6-8H2,1-3H3
InChIKeyLEQMXVWFIZPXBK-UHFFFAOYSA-N
XLogP0.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
CID 62747506
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615427
N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 62326409
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide
CID 79578505
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
CID 114266326

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine (CID 106723335) is N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine is Cc1nccc(CNCCS(=O)(=O)C(C)C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
The InChIKey is LEQMXVWFIZPXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)17(15,16)7-6-12-8-11-4-5-13-10(3)14-11/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine has a molecular weight of 257.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 106723335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).