5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine

C7H10BrN3O — CID 130639014

IUPAC5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
SMILESCON(C)c1nc(C)ncc1Br
InChIInChI=1S/C7H10BrN3O/c1-5-9-4-6(8)7(10-5)11(2)12-3/h4H,1-3H3
InChIKeyBVTRBDXDGMCXPD-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.55
Rot. Bonds2

About 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine

5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine (PubChem CID 130639014) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
PubChem CID130639014
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
SMILESCON(C)c1nc(C)ncc1Br
InChIInChI=1S/C7H10BrN3O/c1-5-9-4-6(8)7(10-5)11(2)12-3/h4H,1-3H3
InChIKeyBVTRBDXDGMCXPD-UHFFFAOYSA-N
XLogP1.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
CID 130654167
1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 83844357
5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide
CID 122151343
3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
CID 79532538
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
5-bromo-N,2-dimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83844947
(5-bromo-2-methylpyrimidin-4-yl)methanamine
CID 82506310
5-bromo-4-ethyl-2-methylpyrimidine;ethane
CID 162730245
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106998870
1-(5-bromo-2-methylpyrimidin-4-yl)ethanone
CID 83886527
5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine
CID 131162930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine (CID 130639014) is 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine is CON(C)c1nc(C)ncc1Br.
What is the InChIKey of 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine?
The InChIKey is BVTRBDXDGMCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-5-9-4-6(8)7(10-5)11(2)12-3/h4H,1-3H3.
What are the key properties of 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine?
5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine has a molecular weight of 232.08 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 130639014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).