(2-bromo-6-methoxypyrimidin-4-yl)methanamine

C6H8BrN3O — CID 83852368

IUPAC(2-bromo-6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cc(CN)nc(Br)n1
InChIInChI=1S/C6H8BrN3O/c1-11-5-2-4(3-8)9-6(7)10-5/h2H,3,8H2,1H3
InChIKeyJMKCSHLBTHOFFK-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.71
Rot. Bonds2

About (2-bromo-6-methoxypyrimidin-4-yl)methanamine

(2-bromo-6-methoxypyrimidin-4-yl)methanamine (PubChem CID 83852368) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is (2-bromo-6-methoxypyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-methoxypyrimidin-4-yl)methanamine
PubChem CID83852368
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name(2-bromo-6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cc(CN)nc(Br)n1
InChIInChI=1S/C6H8BrN3O/c1-11-5-2-4(3-8)9-6(7)10-5/h2H,3,8H2,1H3
InChIKeyJMKCSHLBTHOFFK-UHFFFAOYSA-N
XLogP0.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-bromo-6-methoxypyrimidin-4-yl)methanamine 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

(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
6-(aminomethyl)-2-bromopyrimidin-4-amine
CID 83852139
[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine
CID 83864402
(2-cyclopentyl-6-methoxypyrimidin-4-yl)methanamine
CID 83852183
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
(5-bromo-6-methoxy-4-methyl-2-pyridinyl)methanamine
CID 178084795
4-(2-aminoethyl)-6-methoxypyrimidin-2-amine
CID 83851816
2-(2-ethyl-6-methoxypyrimidin-4-yl)ethanamine
CID 83851900
(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine
CID 84658523
(6-ethyl-2-methoxypyrimidin-4-yl)methanamine
CID 83851807
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
CID 83889810

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-methoxypyrimidin-4-yl)methanamine?
The IUPAC name of (2-bromo-6-methoxypyrimidin-4-yl)methanamine (CID 83852368) is (2-bromo-6-methoxypyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-bromo-6-methoxypyrimidin-4-yl)methanamine?
The canonical SMILES for (2-bromo-6-methoxypyrimidin-4-yl)methanamine is COc1cc(CN)nc(Br)n1.
What is the InChIKey of (2-bromo-6-methoxypyrimidin-4-yl)methanamine?
The InChIKey is JMKCSHLBTHOFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-11-5-2-4(3-8)9-6(7)10-5/h2H,3,8H2,1H3.
What are the key properties of (2-bromo-6-methoxypyrimidin-4-yl)methanamine?
(2-bromo-6-methoxypyrimidin-4-yl)methanamine has a molecular weight of 218.05 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-methoxypyrimidin-4-yl)methanamine is sourced from PubChem (CID 83852368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).