6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine

C14H15BrClN3O — CID 80941871

IUPAC6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Br)ccc2Cl)nc(CC)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-12-18-13(17-4-2)8-14(19-12)20-11-7-9(15)5-6-10(11)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyKNNCOBMBRDHQDP-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.68
Rot. Bonds5

About 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine

6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine (PubChem CID 80941871) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
PubChem CID80941871
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Br)ccc2Cl)nc(CC)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-12-18-13(17-4-2)8-14(19-12)20-11-7-9(15)5-6-10(11)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyKNNCOBMBRDHQDP-UHFFFAOYSA-N
XLogP4.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
CID 80943851
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
CID 83145689
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine (CID 80941871) is 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine is CCNc1cc(Oc2cc(Br)ccc2Cl)nc(CC)n1.
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine?
The InChIKey is KNNCOBMBRDHQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-3-12-18-13(17-4-2)8-14(19-12)20-11-7-9(15)5-6-10(11)16/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine?
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine has a molecular weight of 356.65 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80941871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).