6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine

C13H16FN3O2 — CID 133274665

IUPAC6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
SMILESCOCCOCCNc1ncnc2ccc(F)cc12
InChIInChI=1S/C13H16FN3O2/c1-18-6-7-19-5-4-15-13-11-8-10(14)2-3-12(11)16-9-17-13/h2-3,8-9H,4-7H2,1H3,(H,15,16,17)
InChIKeyYFSWPBPCIZMIFQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.84
Rot. Bonds7

About 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine

6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine (PubChem CID 133274665) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
PubChem CID133274665
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
SMILESCOCCOCCNc1ncnc2ccc(F)cc12
InChIInChI=1S/C13H16FN3O2/c1-18-6-7-19-5-4-15-13-11-8-10(14)2-3-12(11)16-9-17-13/h2-3,8-9H,4-7H2,1H3,(H,15,16,17)
InChIKeyYFSWPBPCIZMIFQ-UHFFFAOYSA-N
XLogP1.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.84
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 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine (CID 133274665) is 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine is COCCOCCNc1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine?
The InChIKey is YFSWPBPCIZMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-18-6-7-19-5-4-15-13-11-8-10(14)2-3-12(11)16-9-17-13/h2-3,8-9H,4-7H2,1H3,(H,15,16,17).
What are the key properties of 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine?
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine has a molecular weight of 265.29 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133274665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).