5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide

C8H13BrIN3O — CID 122151343

IUPAC5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide
SMILESCON(C)c1nc(C)nc(C)c1Br.I
InChIInChI=1S/C8H12BrN3O.HI/c1-5-7(9)8(12(3)13-4)11-6(2)10-5;/h1-4H3;1H
InChIKeyBVEPNIXUGZHDIM-UHFFFAOYSA-N
MW374.02 g/mol
LogP2.47
Rot. Bonds2

About 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide

5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide (PubChem CID 122151343) has the molecular formula C8H13BrIN3O and a molecular weight of 374.02 g/mol. Its IUPAC name is 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide.

Molecular Properties

Compound Name5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide
PubChem CID122151343
Molecular FormulaC8H13BrIN3O
Molecular Weight374.02 g/mol
Exact Mass372.93
IUPAC Name5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide
SMILESCON(C)c1nc(C)nc(C)c1Br.I
InChIInChI=1S/C8H12BrN3O.HI/c1-5-7(9)8(12(3)13-4)11-6(2)10-5;/h1-4H3;1H
InChIKeyBVEPNIXUGZHDIM-UHFFFAOYSA-N
XLogP2.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.02
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
CID 130639014
2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid
CID 83845150
4-N-methoxy-4-N,2-dimethyl-1H-imidazole-4,5-diamine
CID 82235522
(5-bromo-2,6-dimethylpyrimidin-4-yl)thiourea
CID 101075798
5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine
CID 122151345
3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
CID 79532538
1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79077691
2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 89060063
5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine
CID 131140802
3-[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]propanoic acid
CID 122059415
2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
CID 130679243
4-N-methoxy-4-N,5-dimethylpyrimidine-4,6-diamine
CID 155309702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide?
The IUPAC name of 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide (CID 122151343) is 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide.
What is the SMILES notation for 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide?
The canonical SMILES for 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide is CON(C)c1nc(C)nc(C)c1Br.I.
What is the InChIKey of 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide?
The InChIKey is BVEPNIXUGZHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O.HI/c1-5-7(9)8(12(3)13-4)11-6(2)10-5;/h1-4H3;1H.
What are the key properties of 5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide?
5-bromo-N-methoxy-N,2,6-trimethylpyrimidin-4-amine;hydroiodide has a molecular weight of 374.02 g/mol, XLogP of 2.47, 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,2,6-trimethylpyrimidin-4-amine;hydroiodide is sourced from PubChem (CID 122151343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).