3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine

C17H14ClFN4O — CID 146185123

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine
SMILESCC(Oc1cc(-c2cncnc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C17H14ClFN4O/c1-10(14-5-13(19)2-3-15(14)18)24-16-4-11(8-23-17(16)20)12-6-21-9-22-7-12/h2-10H,1H3,(H2,20,23)
InChIKeyFATWIKWDMICKIP-UHFFFAOYSA-N
MW344.78 g/mol
LogP4.05
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine (PubChem CID 146185123) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine
PubChem CID146185123
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine
SMILESCC(Oc1cc(-c2cncnc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C17H14ClFN4O/c1-10(14-5-13(19)2-3-15(14)18)24-16-4-11(8-23-17(16)20)12-6-21-9-22-7-12/h2-10H,1H3,(H2,20,23)
InChIKeyFATWIKWDMICKIP-UHFFFAOYSA-N
XLogP4.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine (CID 146185123) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine is CC(Oc1cc(-c2cncnc2)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine?
The InChIKey is FATWIKWDMICKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-10(14-5-13(19)2-3-15(14)18)24-16-4-11(8-23-17(16)20)12-6-21-9-22-7-12/h2-10H,1H3,(H2,20,23).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine has a molecular weight of 344.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine is sourced from PubChem (CID 146185123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).