N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

C11H19N3S — CID 65043117

IUPACN-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCCNCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C11H19N3S/c1-5-12-6-7-15-11-13-9(3)8(2)10(4)14-11/h12H,5-7H2,1-4H3
InChIKeyQRZKKHPXOVKSHB-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.10
Rot. Bonds5

About N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 65043117) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
PubChem CID65043117
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCCNCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C11H19N3S/c1-5-12-6-7-15-11-13-9(3)8(2)10(4)14-11/h12H,5-7H2,1-4H3
InChIKeyQRZKKHPXOVKSHB-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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (CID 65043117) is N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is CCNCCSc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is QRZKKHPXOVKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-12-6-7-15-11-13-9(3)8(2)10(4)14-11/h12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine 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 N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 65043117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).