6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine

C13H14FN3O — CID 65096029

IUPAC6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-3-9-7-12(15)17-13(16-9)8-4-5-11(18-2)10(14)6-8/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyFCSJRJMIZUCWSM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.44
Rot. Bonds3

About 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine

6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 65096029) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
PubChem CID65096029
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-3-9-7-12(15)17-13(16-9)8-4-5-11(18-2)10(14)6-8/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyFCSJRJMIZUCWSM-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine (CID 65096029) is 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine is CCc1cc(N)nc(-c2ccc(OC)c(F)c2)n1.
What is the InChIKey of 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is FCSJRJMIZUCWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-9-7-12(15)17-13(16-9)8-4-5-11(18-2)10(14)6-8/h4-7H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 65096029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).