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

C11H7BrCl2FN3 — CID 144516516

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine
SMILESFc1cc(Br)cc(CNc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C11H7BrCl2FN3/c12-7-1-6(2-8(15)3-7)4-16-10-9(13)5-17-11(14)18-10/h1-3,5H,4H2,(H,16,17,18)
InChIKeyVHRCQUNSSUALOF-UHFFFAOYSA-N
MW351.01 g/mol
LogP4.30
Rot. Bonds3

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

N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine (PubChem CID 144516516) has the molecular formula C11H7BrCl2FN3 and a molecular weight of 351.01 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine
PubChem CID144516516
Molecular FormulaC11H7BrCl2FN3
Molecular Weight351.01 g/mol
Exact Mass348.92
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine
SMILESFc1cc(Br)cc(CNc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C11H7BrCl2FN3/c12-7-1-6(2-8(15)3-7)4-16-10-9(13)5-17-11(14)18-10/h1-3,5H,4H2,(H,16,17,18)
InChIKeyVHRCQUNSSUALOF-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.01
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine (CID 144516516) is N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine is Fc1cc(Br)cc(CNc2nc(Cl)ncc2Cl)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
The InChIKey is VHRCQUNSSUALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2FN3/c12-7-1-6(2-8(15)3-7)4-16-10-9(13)5-17-11(14)18-10/h1-3,5H,4H2,(H,16,17,18).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine has a molecular weight of 351.01 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine is sourced from PubChem (CID 144516516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).