6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine

C11H8BrF2N3O2 — CID 107102826

IUPAC6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C11H8BrF2N3O2/c1-18-9-10(15)16-4-17-11(9)19-7-3-5(12)2-6(13)8(7)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyFGQGBDYNLWWVFP-UHFFFAOYSA-N
MW332.10 g/mol
LogP2.90
Rot. Bonds3

About 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine

6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine (PubChem CID 107102826) has the molecular formula C11H8BrF2N3O2 and a molecular weight of 332.10 g/mol. Its IUPAC name is 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
PubChem CID107102826
Molecular FormulaC11H8BrF2N3O2
Molecular Weight332.10 g/mol
Exact Mass330.98
IUPAC Name6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C11H8BrF2N3O2/c1-18-9-10(15)16-4-17-11(9)19-7-3-5(12)2-6(13)8(7)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyFGQGBDYNLWWVFP-UHFFFAOYSA-N
XLogP2.90
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-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

4-(5-bromo-2,3-difluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 107097443
4-(5-bromo-2,3-difluorophenoxy)-6-propoxypyrimidin-5-amine
CID 107097377
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541
6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
CID 107727388
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
CID 82717490
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
CID 107097473
2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
CID 107099173
4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
CID 107098107
5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
CID 107097469
5-methoxy-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647101
8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 107102607

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine (CID 107102826) is 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine is COc1c(N)ncnc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine?
The InChIKey is FGQGBDYNLWWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O2/c1-18-9-10(15)16-4-17-11(9)19-7-3-5(12)2-6(13)8(7)14/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine?
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine has a molecular weight of 332.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107102826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).