6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine

C12H11ClFN3 — CID 113324874

IUPAC6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H11ClFN3/c1-2-10-11(16-6-17-12(10)15)7-3-8(13)5-9(14)4-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyOVRGMWJHOMURLD-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.08
Rot. Bonds2

About 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine

6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine (PubChem CID 113324874) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
PubChem CID113324874
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H11ClFN3/c1-2-10-11(16-6-17-12(10)15)7-3-8(13)5-9(14)4-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyOVRGMWJHOMURLD-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine (CID 113324874) is 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine?
The InChIKey is OVRGMWJHOMURLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-2-10-11(16-6-17-12(10)15)7-3-8(13)5-9(14)4-7/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine?
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 113324874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).