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

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Related Compounds

4-(2,5-dimethylphenoxy)pyrimidin-2-amine
CID 80864136
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
2-(2,5-dimethylphenoxy)-6-fluoropyridine
CID 61227420
6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774078
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
4-fluoro-6-methoxypyrimidin-2-amine
CID 759140
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
[6-(2,5-dimethylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721260
5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine
CID 71212910

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).