5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

C14H15BrClN3O — CID 66300377

IUPAC5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Cl)nc(COC)c1Br
InChIInChI=1S/C14H15BrClN3O/c1-3-17-14-12(15)11(8-20-2)18-13(19-14)9-6-4-5-7-10(9)16/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyFIFBRGHIQWZONT-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.14
Rot. Bonds5

About 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66300377) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66300377
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Cl)nc(COC)c1Br
InChIInChI=1S/C14H15BrClN3O/c1-3-17-14-12(15)11(8-20-2)18-13(19-14)9-6-4-5-7-10(9)16/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyFIFBRGHIQWZONT-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-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

5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299394
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299210
5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 103445158
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 66300377) is 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1nc(-c2ccccc2Cl)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is FIFBRGHIQWZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-3-17-14-12(15)11(8-20-2)18-13(19-14)9-6-4-5-7-10(9)16/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 356.65 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66300377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).