4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine

C13H9ClF2N2O — CID 80948580

IUPAC4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
SMILESFc1ccc(F)c(Oc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C13H9ClF2N2O/c14-11-6-12(18-13(17-11)7-1-2-7)19-10-5-8(15)3-4-9(10)16/h3-7H,1-2H2
InChIKeyDKILCMLCEXDHIJ-UHFFFAOYSA-N
MW282.68 g/mol
LogP4.08
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine

4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine (PubChem CID 80948580) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
PubChem CID80948580
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
SMILESFc1ccc(F)c(Oc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C13H9ClF2N2O/c14-11-6-12(18-13(17-11)7-1-2-7)19-10-5-8(15)3-4-9(10)16/h3-7H,1-2H2
InChIKeyDKILCMLCEXDHIJ-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine (CID 80948580) is 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine is Fc1ccc(F)c(Oc2cc(Cl)nc(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine?
The InChIKey is DKILCMLCEXDHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-11-6-12(18-13(17-11)7-1-2-7)19-10-5-8(15)3-4-9(10)16/h3-7H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine?
4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine has a molecular weight of 282.68 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine is sourced from PubChem (CID 80948580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).