6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine

C15H18BrN3O — CID 83145689

IUPAC6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Br)c(C)c2)nc(CC)n1
InChIInChI=1S/C15H18BrN3O/c1-4-13-18-14(17-5-2)9-15(19-13)20-11-6-7-12(16)10(3)8-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyIMNBJUDOHZEARH-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.33
Rot. Bonds5

About 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine

6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine (PubChem CID 83145689) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
PubChem CID83145689
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Br)c(C)c2)nc(CC)n1
InChIInChI=1S/C15H18BrN3O/c1-4-13-18-14(17-5-2)9-15(19-13)20-11-6-7-12(16)10(3)8-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyIMNBJUDOHZEARH-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine
CID 80938863
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
CID 80939069
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
CID 80943114
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine (CID 83145689) is 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine is CCNc1cc(Oc2ccc(Br)c(C)c2)nc(CC)n1.
What is the InChIKey of 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine?
The InChIKey is IMNBJUDOHZEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-13-18-14(17-5-2)9-15(19-13)20-11-6-7-12(16)10(3)8-11/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine?
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 83145689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).