2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine

C11H19N3S — CID 115614461

IUPAC2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(C)(C)SCCNCc1cncnc1
InChIInChI=1S/C11H19N3S/c1-11(2,3)15-5-4-12-6-10-7-13-9-14-8-10/h7-9,12H,4-6H2,1-3H3
InChIKeyZFYOUKNWGUPALH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.10
Rot. Bonds5

About 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine

2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 115614461) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID115614461
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(C)(C)SCCNCc1cncnc1
InChIInChI=1S/C11H19N3S/c1-11(2,3)15-5-4-12-6-10-7-13-9-14-8-10/h7-9,12H,4-6H2,1-3H3
InChIKeyZFYOUKNWGUPALH-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62997720
2-tert-butylsulfanyl-N-(pyridin-4-ylmethyl)ethanamine
CID 115614501
2-prop-2-ynylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 115642883
N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine
CID 62763082
N-(pyrimidin-5-ylmethyl)heptan-1-amine
CID 82672400
2-tert-butylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115614481
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 78966606
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115618886
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
CID 62759524

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine (CID 115614461) is 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine is CC(C)(C)SCCNCc1cncnc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is ZFYOUKNWGUPALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2,3)15-5-4-12-6-10-7-13-9-14-8-10/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine?
2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 115614461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).