2-(2,4-difluorophenoxy)pyrimidin-4-amine

C10H7F2N3O — CID 116797635

IUPAC2-(2,4-difluorophenoxy)pyrimidin-4-amine
SMILESNc1ccnc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C10H7F2N3O/c11-6-1-2-8(7(12)5-6)16-10-14-4-3-9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeyJLENJCDDCULIPY-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,4-difluorophenoxy)pyrimidin-4-amine

2-(2,4-difluorophenoxy)pyrimidin-4-amine (PubChem CID 116797635) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)pyrimidin-4-amine
PubChem CID116797635
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name2-(2,4-difluorophenoxy)pyrimidin-4-amine
SMILESNc1ccnc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C10H7F2N3O/c11-6-1-2-8(7(12)5-6)16-10-14-4-3-9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeyJLENJCDDCULIPY-UHFFFAOYSA-N
XLogP2.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(2,4-difluorophenoxy)pyrimidin-4-amine (CID 116797635) is 2-(2,4-difluorophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(2,4-difluorophenoxy)pyrimidin-4-amine is Nc1ccnc(Oc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenoxy)pyrimidin-4-amine?
The InChIKey is JLENJCDDCULIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-6-1-2-8(7(12)5-6)16-10-14-4-3-9(13)15-10/h1-5H,(H2,13,14,15).
What are the key properties of 2-(2,4-difluorophenoxy)pyrimidin-4-amine?
2-(2,4-difluorophenoxy)pyrimidin-4-amine has a molecular weight of 223.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).