5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

C13H13BrFN3 — CID 66306858

IUPAC5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(F)c2)nc(C)c1Br
InChIInChI=1S/C13H13BrFN3/c1-8-12(14)13(16-2)18-11(17-8)7-9-4-3-5-10(15)6-9/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyCURNNMBULCPDAZ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.32
Rot. Bonds3

About 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 66306858) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID66306858
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(F)c2)nc(C)c1Br
InChIInChI=1S/C13H13BrFN3/c1-8-12(14)13(16-2)18-11(17-8)7-9-4-3-5-10(15)6-9/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyCURNNMBULCPDAZ-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 66298662
5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66305262
2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66304332
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62746115
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192538
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054555
5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66304873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 66306858) is 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1nc(Cc2cccc(F)c2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is CURNNMBULCPDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-8-12(14)13(16-2)18-11(17-8)7-9-4-3-5-10(15)6-9/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 310.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66306858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).