6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine

C14H15ClFN3O — CID 80988993

IUPAC6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H15ClFN3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-6-5-9(16)7-10(11)15/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyZWLSJMYTPDHTRM-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.90
Rot. Bonds4

About 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine

6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80988993) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80988993
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H15ClFN3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-6-5-9(16)7-10(11)15/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyZWLSJMYTPDHTRM-UHFFFAOYSA-N
XLogP3.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80988993) is 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is ZWLSJMYTPDHTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-6-5-9(16)7-10(11)15/h5-7H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80988993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).