6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine

C13H13BrFN3O — CID 80949844

IUPAC6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C13H13BrFN3O/c1-2-3-12-17-11(16)7-13(18-12)19-10-5-4-8(15)6-9(10)14/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyVFJQUNQSOOBJJP-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.71
Rot. Bonds4

About 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine

6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine (PubChem CID 80949844) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
PubChem CID80949844
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C13H13BrFN3O/c1-2-3-12-17-11(16)7-13(18-12)19-10-5-4-8(15)6-9(10)14/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyVFJQUNQSOOBJJP-UHFFFAOYSA-N
XLogP3.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
CID 80939586
6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine (CID 80949844) is 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine?
The InChIKey is VFJQUNQSOOBJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-2-3-12-17-11(16)7-13(18-12)19-10-5-4-8(15)6-9(10)14/h4-7H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine?
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine has a molecular weight of 326.17 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).