4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine

C13H14FN3O — CID 114207171

IUPAC4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
SMILESCCc1nc(-c2ccc(F)c(OC)c2)ncc1N
InChIInChI=1S/C13H14FN3O/c1-3-11-10(15)7-16-13(17-11)8-4-5-9(14)12(6-8)18-2/h4-7H,3,15H2,1-2H3
InChIKeyLYJRAKFDFPKGNP-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.44
Rot. Bonds3

About 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine

4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine (PubChem CID 114207171) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
PubChem CID114207171
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
SMILESCCc1nc(-c2ccc(F)c(OC)c2)ncc1N
InChIInChI=1S/C13H14FN3O/c1-3-11-10(15)7-16-13(17-11)8-4-5-9(14)12(6-8)18-2/h4-7H,3,15H2,1-2H3
InChIKeyLYJRAKFDFPKGNP-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

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Related Compounds

5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
CID 114207096
ethyl 4-(2-chlorophenoxy)-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 11856692
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
The IUPAC name of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine (CID 114207171) is 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine.
What is the SMILES notation for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
The canonical SMILES for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine is CCc1nc(-c2ccc(F)c(OC)c2)ncc1N.
What is the InChIKey of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
The InChIKey is LYJRAKFDFPKGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-11-10(15)7-16-13(17-11)8-4-5-9(14)12(6-8)18-2/h4-7H,3,15H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-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 4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine is sourced from PubChem (CID 114207171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).