5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine

C16H20FN3O2 — CID 137343705

IUPAC5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCOc2c(C)cc(C)cc2C)ncc1F
InChIInChI=1S/C16H20FN3O2/c1-10-7-11(2)14(12(3)8-10)22-6-5-18-16-19-9-13(17)15(20-16)21-4/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFDAAZSIOFCCESX-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.04
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine (PubChem CID 137343705) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine
PubChem CID137343705
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCOc2c(C)cc(C)cc2C)ncc1F
InChIInChI=1S/C16H20FN3O2/c1-10-7-11(2)14(12(3)8-10)22-6-5-18-16-19-9-13(17)15(20-16)21-4/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFDAAZSIOFCCESX-UHFFFAOYSA-N
XLogP3.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.04
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 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine (CID 137343705) is 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine is COc1nc(NCCOc2c(C)cc(C)cc2C)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
The InChIKey is FDAAZSIOFCCESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-7-11(2)14(12(3)8-10)22-6-5-18-16-19-9-13(17)15(20-16)21-4/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine has a molecular weight of 305.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 137343705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).