2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine

C16H21FN4O2 — CID 172787034

IUPAC2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCF)nc2)C=CC=CN1
InChIInChI=1S/C16H21FN4O2/c1-18-16(5-2-3-8-21-16)6-4-14-12-19-15(20-13-14)23-11-10-22-9-7-17/h2-6,8,12-13,18,21H,7,9-11H2,1H3
InChIKeyPASWIAFZZKNSRW-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.44
Rot. Bonds9

About 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine

2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine (PubChem CID 172787034) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine
PubChem CID172787034
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCF)nc2)C=CC=CN1
InChIInChI=1S/C16H21FN4O2/c1-18-16(5-2-3-8-21-16)6-4-14-12-19-15(20-13-14)23-11-10-22-9-7-17/h2-6,8,12-13,18,21H,7,9-11H2,1H3
InChIKeyPASWIAFZZKNSRW-UHFFFAOYSA-N
XLogP1.44
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
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-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
The IUPAC name of 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine (CID 172787034) is 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine.
What is the SMILES notation for 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
The canonical SMILES for 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine is CNC1(C=Cc2cnc(OCCOCCF)nc2)C=CC=CN1.
What is the InChIKey of 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
The InChIKey is PASWIAFZZKNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-18-16(5-2-3-8-21-16)6-4-14-12-19-15(20-13-14)23-11-10-22-9-7-17/h2-6,8,12-13,18,21H,7,9-11H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine has a molecular weight of 320.37 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine is sourced from PubChem (CID 172787034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).