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

C15H20FN5O2 — CID 172858785

IUPAC2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCF)nc2)N=CC=CN1
InChIInChI=1S/C15H20FN5O2/c1-17-15(20-6-2-7-21-15)4-3-13-11-18-14(19-12-13)23-10-9-22-8-5-16/h2-4,6-7,11-12,17,20H,5,8-10H2,1H3
InChIKeyZBNFYXQPFMUXAS-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.92
Rot. Bonds9

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

2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine (PubChem CID 172858785) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine
PubChem CID172858785
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine
SMILESCNC1(C=Cc2cnc(OCCOCCF)nc2)N=CC=CN1
InChIInChI=1S/C15H20FN5O2/c1-17-15(20-6-2-7-21-15)4-3-13-11-18-14(19-12-13)23-10-9-22-8-5-16/h2-4,6-7,11-12,17,20H,5,8-10H2,1H3
InChIKeyZBNFYXQPFMUXAS-UHFFFAOYSA-N
XLogP0.92
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.92
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-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine?
The IUPAC name of 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine (CID 172858785) is 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine.
What is the SMILES notation for 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine?
The canonical SMILES for 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine is CNC1(C=Cc2cnc(OCCOCCF)nc2)N=CC=CN1.
What is the InChIKey of 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine?
The InChIKey is ZBNFYXQPFMUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-17-15(20-6-2-7-21-15)4-3-13-11-18-14(19-12-13)23-10-9-22-8-5-16/h2-4,6-7,11-12,17,20H,5,8-10H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine?
2-[2-[2-[2-(2-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine has a molecular weight of 321.36 g/mol, XLogP of 0.92, 9 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-fluoroethoxy)ethoxy]pyrimidin-5-yl]ethenyl]-N-methyl-1H-pyrimidin-2-amine is sourced from PubChem (CID 172858785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).