6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

C15H17F2N3O — CID 80866182

IUPAC6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(F)cc2F)c1C(C)C
InChIInChI=1S/C15H17F2N3O/c1-4-18-14-13(9(2)3)15(20-8-19-14)21-12-6-5-10(16)7-11(12)17/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyALXDSNSRDTUXSI-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.10
Rot. Bonds5

About 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80866182) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80866182
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(F)cc2F)c1C(C)C
InChIInChI=1S/C15H17F2N3O/c1-4-18-14-13(9(2)3)15(20-8-19-14)21-12-6-5-10(16)7-11(12)17/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyALXDSNSRDTUXSI-UHFFFAOYSA-N
XLogP4.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-fluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80875099
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 107171713
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235
[6-(2-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (CID 80866182) is 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(F)cc2F)c1C(C)C.
What is the InChIKey of 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is ALXDSNSRDTUXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-4-18-14-13(9(2)3)15(20-8-19-14)21-12-6-5-10(16)7-11(12)17/h5-9H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80866182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).