5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C12H13BrN4 — CID 107080360

IUPAC5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1ccncc1)c1ncc(CBr)cn1
InChIInChI=1S/C12H13BrN4/c1-17(9-10-2-4-14-5-3-10)12-15-7-11(6-13)8-16-12/h2-5,7-8H,6,9H2,1H3
InChIKeySZLCUPICBZXBOA-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.40
Rot. Bonds4

About 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 107080360) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID107080360
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1ccncc1)c1ncc(CBr)cn1
InChIInChI=1S/C12H13BrN4/c1-17(9-10-2-4-14-5-3-10)12-15-7-11(6-13)8-16-12/h2-5,7-8H,6,9H2,1H3
InChIKeySZLCUPICBZXBOA-UHFFFAOYSA-N
XLogP2.40
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-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

[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
CID 113387821
5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 107080917
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
4-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 107080359
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 80634634
2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline
CID 114054593
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 113388103
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 166178436
N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine
CID 135246616
N-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 171702700
6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66468007

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 107080360) is 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is CN(Cc1ccncc1)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is SZLCUPICBZXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17(9-10-2-4-14-5-3-10)12-15-7-11(6-13)8-16-12/h2-5,7-8H,6,9H2,1H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 293.17 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 107080360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).