6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine

C11H11FN4O — CID 80877439

IUPAC6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
SMILESCc1ccc(F)c(Oc2cc(N)nc(N)n2)c1
InChIInChI=1S/C11H11FN4O/c1-6-2-3-7(12)8(4-6)17-10-5-9(13)15-11(14)16-10/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyWNQGYHNYSNUJHK-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.88
Rot. Bonds2

About 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine

6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine (PubChem CID 80877439) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
PubChem CID80877439
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
SMILESCc1ccc(F)c(Oc2cc(N)nc(N)n2)c1
InChIInChI=1S/C11H11FN4O/c1-6-2-3-7(12)8(4-6)17-10-5-9(13)15-11(14)16-10/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyWNQGYHNYSNUJHK-UHFFFAOYSA-N
XLogP1.88
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
2-bromo-6-(2-fluoro-5-methylphenoxy)pyridine
CID 64856365
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774078
3-(2-fluoro-5-methylphenoxy)pyrazin-2-amine
CID 102988278
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176389
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine (CID 80877439) is 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine is Cc1ccc(F)c(Oc2cc(N)nc(N)n2)c1.
What is the InChIKey of 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is WNQGYHNYSNUJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-2-3-7(12)8(4-6)17-10-5-9(13)15-11(14)16-10/h2-5H,1H3,(H4,13,14,15,16).
What are the key properties of 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine?
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 234.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80877439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).