2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide

C12H10BrClN4O — CID 107551143

IUPAC2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H10BrClN4O/c1-6-4-9(11(15)16)18-12(17-6)19-10-5-7(13)2-3-8(10)14/h2-5H,1H3,(H3,15,16)
InChIKeyFWNWAPAWGQRYBM-UHFFFAOYSA-N
MW341.60 g/mol
LogP3.28
Rot. Bonds3

About 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide

2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107551143) has the molecular formula C12H10BrClN4O and a molecular weight of 341.60 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
PubChem CID107551143
Molecular FormulaC12H10BrClN4O
Molecular Weight341.60 g/mol
Exact Mass339.97
IUPAC Name2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H10BrClN4O/c1-6-4-9(11(15)16)18-12(17-6)19-10-5-7(13)2-3-8(10)14/h2-5H,1H3,(H3,15,16)
InChIKeyFWNWAPAWGQRYBM-UHFFFAOYSA-N
XLogP3.28
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
2-(5-bromo-2-chlorophenoxy)pyrimidine-4-carbothioamide
CID 107548649
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303045
4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
CID 133054142
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554951

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide (CID 107551143) is 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is FWNWAPAWGQRYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O/c1-6-4-9(11(15)16)18-12(17-6)19-10-5-7(13)2-3-8(10)14/h2-5H,1H3,(H3,15,16).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 341.60 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).