2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine

C13H14FN3O — CID 65101012

IUPAC2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)c(C)c(N)n2)cc1F
InChIInChI=1S/C13H14FN3O/c1-7-8(2)16-13(17-12(7)15)9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyNJORVHMEDKPONP-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.49
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine

2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 65101012) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID65101012
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)c(C)c(N)n2)cc1F
InChIInChI=1S/C13H14FN3O/c1-7-8(2)16-13(17-12(7)15)9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyNJORVHMEDKPONP-UHFFFAOYSA-N
XLogP2.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
2-(3-fluoro-4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983821
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine (CID 65101012) is 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine is COc1ccc(-c2nc(C)c(C)c(N)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is NJORVHMEDKPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-7-8(2)16-13(17-12(7)15)9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H2,15,16,17).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65101012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).