2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine

C15H19N3O2S — CID 79035514

IUPAC2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCCOc1ccccc1OCCSc1nc(C)cc(N)n1
InChIInChI=1S/C15H19N3O2S/c1-3-19-12-6-4-5-7-13(12)20-8-9-21-15-17-11(2)10-14(16)18-15/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyBZASUTNZCXBLOE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.94
Rot. Bonds7

About 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine

2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 79035514) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID79035514
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCCOc1ccccc1OCCSc1nc(C)cc(N)n1
InChIInChI=1S/C15H19N3O2S/c1-3-19-12-6-4-5-7-13(12)20-8-9-21-15-17-11(2)10-14(16)18-15/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyBZASUTNZCXBLOE-UHFFFAOYSA-N
XLogP2.94
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine (CID 79035514) is 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine is CCOc1ccccc1OCCSc1nc(C)cc(N)n1.
What is the InChIKey of 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is BZASUTNZCXBLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-19-12-6-4-5-7-13(12)20-8-9-21-15-17-11(2)10-14(16)18-15/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine?
2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79035514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).