4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine

C11H9ClFN3O — CID 82719505

IUPAC4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9ClFN3O/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)
InChIKeyVSCMTSRGINVGNU-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.95
Rot. Bonds2

About 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine

4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 82719505) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID82719505
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9ClFN3O/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)
InChIKeyVSCMTSRGINVGNU-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine (CID 82719505) is 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2ccc(Cl)c(F)c2)nc(N)n1.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is VSCMTSRGINVGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/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-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine?
4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 253.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 82719505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).