2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine

C10H7ClFN3O — CID 63879150

IUPAC2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C10H7ClFN3O/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2
InChIKeyAHGDYRYPOKDQCD-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.64
Rot. Bonds2

About 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine

2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine (PubChem CID 63879150) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
PubChem CID63879150
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C10H7ClFN3O/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2
InChIKeyAHGDYRYPOKDQCD-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
2-(3-chloro-4-fluorophenoxy)pyrimidine
CID 5045020
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
CID 116797923
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184428
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255
4-(3-chloro-4-fluorophenoxy)pyridin-3-amine
CID 63878452
2-(3-chloro-4-fluorophenoxy)quinolin-6-amine
CID 63879320

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine (CID 63879150) is 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine is Nc1cnc(Oc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine?
The InChIKey is AHGDYRYPOKDQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine?
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine has a molecular weight of 239.64 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine is sourced from PubChem (CID 63879150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).