2-(3,4-difluorophenoxy)pyrimidin-5-amine

C10H7F2N3O — CID 82234847

IUPAC2-(3,4-difluorophenoxy)pyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C10H7F2N3O/c11-8-2-1-7(3-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2
InChIKeyRDRZTIZBCGSOGJ-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.13
Rot. Bonds2

About 2-(3,4-difluorophenoxy)pyrimidin-5-amine

2-(3,4-difluorophenoxy)pyrimidin-5-amine (PubChem CID 82234847) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)pyrimidin-5-amine
PubChem CID82234847
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name2-(3,4-difluorophenoxy)pyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C10H7F2N3O/c11-8-2-1-7(3-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2
InChIKeyRDRZTIZBCGSOGJ-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-(3,4-difluorophenoxy)pyrimidin-5-amine?
The IUPAC name of 2-(3,4-difluorophenoxy)pyrimidin-5-amine (CID 82234847) is 2-(3,4-difluorophenoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(3,4-difluorophenoxy)pyrimidin-5-amine is Nc1cnc(Oc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)pyrimidin-5-amine?
The InChIKey is RDRZTIZBCGSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-8-2-1-7(3-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2.
What are the key properties of 2-(3,4-difluorophenoxy)pyrimidin-5-amine?
2-(3,4-difluorophenoxy)pyrimidin-5-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-(3,4-difluorophenoxy)pyrimidin-5-amine is sourced from PubChem (CID 82234847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).