N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine

C9H14FN3OS — CID 80884214

IUPACN-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCCOC)n1
InChIInChI=1S/C9H14FN3OS/c1-3-11-9-12-6-7(10)8(13-9)15-5-4-14-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyAEBPMRRIQACSLD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.79
Rot. Bonds6

About N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine (PubChem CID 80884214) has the molecular formula C9H14FN3OS and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine
PubChem CID80884214
Molecular FormulaC9H14FN3OS
Molecular Weight231.30 g/mol
Exact Mass231.08
IUPAC NameN-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCCOC)n1
InChIInChI=1S/C9H14FN3OS/c1-3-11-9-12-6-7(10)8(13-9)15-5-4-14-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyAEBPMRRIQACSLD-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine (CID 80884214) is N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine is CCNc1ncc(F)c(SCCOC)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine?
The InChIKey is AEBPMRRIQACSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3OS/c1-3-11-9-12-6-7(10)8(13-9)15-5-4-14-2/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80884214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).