4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine

C11H9ClFN3O — CID 80880887

IUPAC4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
SMILESCc1ccc(Oc2nc(N)ncc2F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O/c1-6-2-3-9(7(12)4-6)17-10-8(13)5-15-11(14)16-10/h2-5H,1H3,(H2,14,15,16)
InChIKeyJBIHDRFINZKDIE-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.95
Rot. Bonds2

About 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine

4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80880887) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
PubChem CID80880887
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
SMILESCc1ccc(Oc2nc(N)ncc2F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O/c1-6-2-3-9(7(12)4-6)17-10-8(13)5-15-11(14)16-10/h2-5H,1H3,(H2,14,15,16)
InChIKeyJBIHDRFINZKDIE-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
CID 80862564
4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881412
4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80864784
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
2-(2-chloro-4-methylphenoxy)-1,3-thiazol-5-amine
CID 102769480
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
CID 62670079

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine (CID 80880887) is 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine is Cc1ccc(Oc2nc(N)ncc2F)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is JBIHDRFINZKDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-2-3-9(7(12)4-6)17-10-8(13)5-15-11(14)16-10/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine?
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 253.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80880887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).