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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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).