6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine

C14H16BrN3O — CID 80859735

IUPAC6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2ccccc2Br)c1C
InChIInChI=1S/C14H16BrN3O/c1-4-16-13-9(2)14(18-10(3)17-13)19-12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyKTSRJIBNECPXNQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.08
Rot. Bonds4

About 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine

6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80859735) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80859735
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2ccccc2Br)c1C
InChIInChI=1S/C14H16BrN3O/c1-4-16-13-9(2)14(18-10(3)17-13)19-12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyKTSRJIBNECPXNQ-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865514
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol
CID 80990380

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine (CID 80859735) is 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(Oc2ccccc2Br)c1C.
What is the InChIKey of 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is KTSRJIBNECPXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-16-13-9(2)14(18-10(3)17-13)19-12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80859735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).