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

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Related Compounds

4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 65096680
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096408
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
6-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938348
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161
6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 62190498
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
CID 136927532
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol
CID 135962118

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).