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

C13H13BrFN3O — CID 80881442

IUPAC6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2F)ncn1
InChIInChI=1S/C13H13BrFN3O/c1-2-5-16-12-7-13(18-8-17-12)19-11-4-3-9(14)6-10(11)15/h3-4,6-8H,2,5H2,1H3,(H,16,17,18)
InChIKeySOOCIYGZTQBEGH-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.99
Rot. Bonds5

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

6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80881442) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
PubChem CID80881442
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2F)ncn1
InChIInChI=1S/C13H13BrFN3O/c1-2-5-16-12-7-13(18-8-17-12)19-11-4-3-9(14)6-10(11)15/h3-4,6-8H,2,5H2,1H3,(H,16,17,18)
InChIKeySOOCIYGZTQBEGH-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
CID 80881519
6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80862938
3-methoxy-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80866910
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
N-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874681
6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
CID 80862951
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598602

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine (CID 80881442) is 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(Br)cc2F)ncn1.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is SOOCIYGZTQBEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-2-5-16-12-7-13(18-8-17-12)19-11-4-3-9(14)6-10(11)15/h3-4,6-8H,2,5H2,1H3,(H,16,17,18).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine?
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 326.17 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80881442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).