4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine

C11H9F2N3O — CID 112724370

IUPAC4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3O/c1-6-4-10(16-11(14)15-6)17-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyMKWHEYWHJINVJQ-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.44
Rot. Bonds2

About 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine

4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 112724370) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID112724370
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3O/c1-6-4-10(16-11(14)15-6)17-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyMKWHEYWHJINVJQ-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724301
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 81326185
4-methyl-6-quinolin-7-yloxypyrimidin-2-amine
CID 107315905
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80878320
4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine
CID 59596374
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617
4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
CID 80875832
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine (CID 112724370) is 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2ccc(F)c(F)c2)nc(N)n1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is MKWHEYWHJINVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-6-4-10(16-11(14)15-6)17-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine?
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 237.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112724370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).