5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine

C8H12BrN3O — CID 119026670

IUPAC5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
SMILESCOCCNc1nc(C)ncc1Br
InChIInChI=1S/C8H12BrN3O/c1-6-11-5-7(9)8(12-6)10-3-4-13-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPEFKMIJKESERDJ-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.61
Rot. Bonds4

About 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine

5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine (PubChem CID 119026670) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
PubChem CID119026670
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
SMILESCOCCNc1nc(C)ncc1Br
InChIInChI=1S/C8H12BrN3O/c1-6-11-5-7(9)8(12-6)10-3-4-13-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPEFKMIJKESERDJ-UHFFFAOYSA-N
XLogP1.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 131140623
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine
CID 164651851
5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 143967158
methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
CID 68754647
2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80932366
4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755406
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248797

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine (CID 119026670) is 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine is COCCNc1nc(C)ncc1Br.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
The InChIKey is PEFKMIJKESERDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-6-11-5-7(9)8(12-6)10-3-4-13-2/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine has a molecular weight of 246.11 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 119026670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).