4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine

C14H13BrClFN2O — CID 81332421

IUPAC4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H13BrClFN2O/c1-3-4-12-18-13(16)8(2)14(19-12)20-11-6-9(15)5-10(17)7-11/h5-7H,3-4H2,1-2H3
InChIKeyFCMSIDSBIVAQCS-UHFFFAOYSA-N
MW359.63 g/mol
LogP5.08
Rot. Bonds4

About 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine

4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine (PubChem CID 81332421) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
PubChem CID81332421
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC Name4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H13BrClFN2O/c1-3-4-12-18-13(16)8(2)14(19-12)20-11-6-9(15)5-10(17)7-11/h5-7H,3-4H2,1-2H3
InChIKeyFCMSIDSBIVAQCS-UHFFFAOYSA-N
XLogP5.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.63
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine (CID 81332421) is 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Oc2cc(F)cc(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
The InChIKey is FCMSIDSBIVAQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-3-4-12-18-13(16)8(2)14(19-12)20-11-6-9(15)5-10(17)7-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine has a molecular weight of 359.63 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 81332421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).