4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine

C12H12FN3O — CID 695400

IUPAC4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
SMILESCc1ccc(C)c(Oc2cc(F)nc(N)n2)c1
InChIInChI=1S/C12H12FN3O/c1-7-3-4-8(2)9(5-7)17-11-6-10(13)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyJKRIMACKJUDJRN-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.61
Rot. Bonds2

About 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine

4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine (PubChem CID 695400) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
PubChem CID695400
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
SMILESCc1ccc(C)c(Oc2cc(F)nc(N)n2)c1
InChIInChI=1S/C12H12FN3O/c1-7-3-4-8(2)9(5-7)17-11-6-10(13)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyJKRIMACKJUDJRN-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-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 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine (CID 695400) is 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine is Cc1ccc(C)c(Oc2cc(F)nc(N)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine?
The InChIKey is JKRIMACKJUDJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-3-4-8(2)9(5-7)17-11-6-10(13)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine?
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine is sourced from PubChem (CID 695400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).