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

C18H25FN4O3 — CID 162350721

IUPAC2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCOCCF)nc2)C=CC=CN1
InChIInChI=1S/C18H25FN4O3/c1-20-18(5-2-3-8-23-18)6-4-16-14-21-17(22-15-16)26-13-12-25-11-10-24-9-7-19/h2-6,8,14-15,20,23H,7,9-13H2,1H3
InChIKeyNHRYBGJWJOXTKE-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.46
Rot. Bonds12

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

2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine (PubChem CID 162350721) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine
PubChem CID162350721
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCOCCF)nc2)C=CC=CN1
InChIInChI=1S/C18H25FN4O3/c1-20-18(5-2-3-8-23-18)6-4-16-14-21-17(22-15-16)26-13-12-25-11-10-24-9-7-19/h2-6,8,14-15,20,23H,7,9-13H2,1H3
InChIKeyNHRYBGJWJOXTKE-UHFFFAOYSA-N
XLogP1.46
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
The IUPAC name of 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine (CID 162350721) is 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine is CNC1(C=Cc2cnc(OCCOCCOCCF)nc2)C=CC=CN1.
What is the InChIKey of 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
The InChIKey is NHRYBGJWJOXTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3/c1-20-18(5-2-3-8-23-18)6-4-16-14-21-17(22-15-16)26-13-12-25-11-10-24-9-7-19/h2-6,8,14-15,20,23H,7,9-13H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine?
2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine has a molecular weight of 364.42 g/mol, XLogP of 1.46, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyridin-2-amine is sourced from PubChem (CID 162350721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).