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

C17H24FN5O3 — CID 162350736

IUPAC2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCOCCF)nc2)N=CC=CN1
InChIInChI=1S/C17H24FN5O3/c1-19-17(22-6-2-7-23-17)4-3-15-13-20-16(21-14-15)26-12-11-25-10-9-24-8-5-18/h2-4,6-7,13-14,19,22H,5,8-12H2,1H3
InChIKeyYVSPLJSLAFKOCE-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.93
Rot. Bonds12

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

2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine (PubChem CID 162350736) has the molecular formula C17H24FN5O3 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine
PubChem CID162350736
Molecular FormulaC17H24FN5O3
Molecular Weight365.41 g/mol
Exact Mass365.19
IUPAC Name2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCOCCF)nc2)N=CC=CN1
InChIInChI=1S/C17H24FN5O3/c1-19-17(22-6-2-7-23-17)4-3-15-13-20-16(21-14-15)26-12-11-25-10-9-24-8-5-18/h2-4,6-7,13-14,19,22H,5,8-12H2,1H3
InChIKeyYVSPLJSLAFKOCE-UHFFFAOYSA-N
XLogP0.93
TPSA89.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-pyrimidin-2-amine?
The IUPAC name of 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine (CID 162350736) is 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine is CNC1(C=Cc2cnc(OCCOCCOCCF)nc2)N=CC=CN1.
What is the InChIKey of 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine?
The InChIKey is YVSPLJSLAFKOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O3/c1-19-17(22-6-2-7-23-17)4-3-15-13-20-16(21-14-15)26-12-11-25-10-9-24-8-5-18/h2-4,6-7,13-14,19,22H,5,8-12H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine?
2-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine has a molecular weight of 365.41 g/mol, XLogP of 0.93, 12 rotatable bonds, 2 hydrogen bond donors, and 8 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-pyrimidin-2-amine is sourced from PubChem (CID 162350736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).