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

C14H17BrN4O — CID 66299394

IUPAC5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)n2)nc(COC)c1Br
InChIInChI=1S/C14H17BrN4O/c1-4-16-14-12(15)11(8-20-3)18-13(19-14)10-7-5-6-9(2)17-10/h5-7H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyXQILWYKEHPKWOX-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.19
Rot. Bonds5

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

5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 66299394) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID66299394
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)n2)nc(COC)c1Br
InChIInChI=1S/C14H17BrN4O/c1-4-16-14-12(15)11(8-20-3)18-13(19-14)10-7-5-6-9(2)17-10/h5-7H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyXQILWYKEHPKWOX-UHFFFAOYSA-N
XLogP3.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)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-N-ethyl-6-(methoxymethyl)-2-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299391
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299210
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66296617
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine (CID 66299394) is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine is CCNc1nc(-c2cccc(C)n2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is XQILWYKEHPKWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-4-16-14-12(15)11(8-20-3)18-13(19-14)10-7-5-6-9(2)17-10/h5-7H,4,8H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 337.22 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 66299394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).