5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine

C10H6BrF2N3 — CID 144679124

IUPAC5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(F)c(Br)c2F)cn1
InChIInChI=1S/C10H6BrF2N3/c11-8-7(12)2-1-6(9(8)13)5-3-15-10(14)16-4-5/h1-4H,(H2,14,15,16)
InChIKeyWKYZFLXQIVROCJ-UHFFFAOYSA-N
MW286.08 g/mol
LogP2.77
Rot. Bonds1

About 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine

5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine (PubChem CID 144679124) has the molecular formula C10H6BrF2N3 and a molecular weight of 286.08 g/mol. Its IUPAC name is 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine
PubChem CID144679124
Molecular FormulaC10H6BrF2N3
Molecular Weight286.08 g/mol
Exact Mass284.97
IUPAC Name5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(F)c(Br)c2F)cn1
InChIInChI=1S/C10H6BrF2N3/c11-8-7(12)2-1-6(9(8)13)5-3-15-10(14)16-4-5/h1-4H,(H2,14,15,16)
InChIKeyWKYZFLXQIVROCJ-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine (CID 144679124) is 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine is Nc1ncc(-c2ccc(F)c(Br)c2F)cn1.
What is the InChIKey of 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine?
The InChIKey is WKYZFLXQIVROCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3/c11-8-7(12)2-1-6(9(8)13)5-3-15-10(14)16-4-5/h1-4H,(H2,14,15,16).
What are the key properties of 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine?
5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine has a molecular weight of 286.08 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2,4-difluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 144679124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).