6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine

C15H18BrN3O — CID 82825534

IUPAC6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(OCc2ccc(Br)cc2)nc(CC)n1
InChIInChI=1S/C15H18BrN3O/c1-3-13-18-14(17-4-2)9-15(19-13)20-10-11-5-7-12(16)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyVENJCQYMDBCPMK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.81
Rot. Bonds6

About 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine

6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine (PubChem CID 82825534) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
PubChem CID82825534
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(OCc2ccc(Br)cc2)nc(CC)n1
InChIInChI=1S/C15H18BrN3O/c1-3-13-18-14(17-4-2)9-15(19-13)20-10-11-5-7-12(16)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyVENJCQYMDBCPMK-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
CID 82824581
6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
CID 80941264
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
CID 83145689
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
CID 82831291
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine (CID 82825534) is 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine is CCNc1cc(OCc2ccc(Br)cc2)nc(CC)n1.
What is the InChIKey of 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine?
The InChIKey is VENJCQYMDBCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-13-18-14(17-4-2)9-15(19-13)20-10-11-5-7-12(16)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine?
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 82825534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).