6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine

C15H18BrN3O — CID 80965984

IUPAC6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Br)cc2)nc(C(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-4-17-13-9-14(19-15(18-13)10(2)3)20-12-7-5-11(16)6-8-12/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyWXELXRUYORVXLM-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.59
Rot. Bonds5

About 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine

6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80965984) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80965984
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Br)cc2)nc(C(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-4-17-13-9-14(19-15(18-13)10(2)3)20-12-7-5-11(16)6-8-12/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyWXELXRUYORVXLM-UHFFFAOYSA-N
XLogP4.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80966273
[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
CID 80966539
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 102988989
4-N-(2,4-dibromophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960399
6-but-3-yn-2-yloxy-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 106795289
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958702
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (CID 80965984) is 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(Oc2ccc(Br)cc2)nc(C(C)C)n1.
What is the InChIKey of 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WXELXRUYORVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-17-13-9-14(19-15(18-13)10(2)3)20-12-7-5-11(16)6-8-12/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80965984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).