5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine

C13H14BrN3O2 — CID 66300553

IUPAC5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccccc2OC)nc(N)c1Br
InChIInChI=1S/C13H14BrN3O2/c1-18-7-9-11(14)12(15)17-13(16-9)8-5-3-4-6-10(8)19-2/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyFPRJMXJKVMBAOD-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.64
Rot. Bonds4

About 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 66300553) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID66300553
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccccc2OC)nc(N)c1Br
InChIInChI=1S/C13H14BrN3O2/c1-18-7-9-11(14)12(15)17-13(16-9)8-5-3-4-6-10(8)19-2/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyFPRJMXJKVMBAOD-UHFFFAOYSA-N
XLogP2.64
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)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-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66295840
5-bromo-2-(3-chloro-2-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 114488741
5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
CID 66297765
5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375038
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine
CID 66295361
5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66297571
5-bromo-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 66298593
5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 66299373
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806840
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine (CID 66300553) is 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine is COCc1nc(-c2ccccc2OC)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is FPRJMXJKVMBAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-18-7-9-11(14)12(15)17-13(16-9)8-5-3-4-6-10(8)19-2/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 324.18 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66300553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).