4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine

C13H14BrN3O — CID 80864511

IUPAC4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/c1-3-15-13-16-8-9(2)12(17-13)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyZQSWTCSLZRLXGT-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.77
Rot. Bonds4

About 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine

4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 80864511) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID80864511
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/c1-3-15-13-16-8-9(2)12(17-13)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyZQSWTCSLZRLXGT-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80881436
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
4-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80864579
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
CID 113427596

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine (CID 80864511) is 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is ZQSWTCSLZRLXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-15-13-16-8-9(2)12(17-13)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80864511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).