4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine

C15H17BrN4O — CID 19137603

IUPAC4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
SMILESNc1c(Oc2ccc(Br)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C15H17BrN4O/c16-11-4-6-12(7-5-11)21-15-13(17)14(18-10-19-15)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,17H2
InChIKeyIUAPJIQOGGIEOC-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.60
Rot. Bonds3

About 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine

4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine (PubChem CID 19137603) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
PubChem CID19137603
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
SMILESNc1c(Oc2ccc(Br)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C15H17BrN4O/c16-11-4-6-12(7-5-11)21-15-13(17)14(18-10-19-15)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,17H2
InChIKeyIUAPJIQOGGIEOC-UHFFFAOYSA-N
XLogP3.60
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543614
4-(azepan-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540689
ethyl 1-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142349
4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543348
4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137506
6-(azepan-1-yl)-4-N-(4-bromophenyl)pyrimidine-4,5-diamine
CID 19137871
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137416

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine (CID 19137603) is 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine is Nc1c(Oc2ccc(Br)cc2)ncnc1N1CCCCC1.
What is the InChIKey of 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine?
The InChIKey is IUAPJIQOGGIEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-4-6-12(7-5-11)21-15-13(17)14(18-10-19-15)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,17H2.
What are the key properties of 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine?
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine has a molecular weight of 349.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 19137603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).