4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine

C10H6ClF2N3O — CID 60726327

IUPAC4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C10H6ClF2N3O/c11-9-8(14)10(16-4-15-9)17-5-1-2-6(12)7(13)3-5/h1-4H,14H2
InChIKeyREWAVIFRJDQUPR-UHFFFAOYSA-N
MW257.63 g/mol
LogP2.78
Rot. Bonds2

About 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine

4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine (PubChem CID 60726327) has the molecular formula C10H6ClF2N3O and a molecular weight of 257.63 g/mol. Its IUPAC name is 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
PubChem CID60726327
Molecular FormulaC10H6ClF2N3O
Molecular Weight257.63 g/mol
Exact Mass257.02
IUPAC Name4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C10H6ClF2N3O/c11-9-8(14)10(16-4-15-9)17-5-1-2-6(12)7(13)3-5/h1-4H,14H2
InChIKeyREWAVIFRJDQUPR-UHFFFAOYSA-N
XLogP2.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine
CID 63022073
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine
CID 60726811
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
CID 82717490
[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol
CID 146290878
5-bromo-3-chloro-2-(3,4-difluorophenoxy)pyridine
CID 103583644
4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 83232893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine (CID 60726327) is 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine is Nc1c(Cl)ncnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine?
The InChIKey is REWAVIFRJDQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O/c11-9-8(14)10(16-4-15-9)17-5-1-2-6(12)7(13)3-5/h1-4H,14H2.
What are the key properties of 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine?
4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine has a molecular weight of 257.63 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine is sourced from PubChem (CID 60726327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).