5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine

C13H13BrFN3 — CID 107080917

IUPAC5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccccc1F)c1ncc(CBr)cn1
InChIInChI=1S/C13H13BrFN3/c1-18(9-11-4-2-3-5-12(11)15)13-16-7-10(6-14)8-17-13/h2-5,7-8H,6,9H2,1H3
InChIKeyNFEKREHQKBSRMP-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.15
Rot. Bonds4

About 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine

5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 107080917) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
PubChem CID107080917
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccccc1F)c1ncc(CBr)cn1
InChIInChI=1S/C13H13BrFN3/c1-18(9-11-4-2-3-5-12(11)15)13-16-7-10(6-14)8-17-13/h2-5,7-8H,6,9H2,1H3
InChIKeyNFEKREHQKBSRMP-UHFFFAOYSA-N
XLogP3.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097
2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 113387633
5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184048
5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 107080360
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
5-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 133424088
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
5-(bromomethyl)-N-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 107082652
N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 133452824
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine (CID 107080917) is 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine is CN(Cc1ccccc1F)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is NFEKREHQKBSRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-18(9-11-4-2-3-5-12(11)15)13-16-7-10(6-14)8-17-13/h2-5,7-8H,6,9H2,1H3.
What are the key properties of 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 310.17 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 107080917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).