5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

C8H13BrN4O — CID 130658711

IUPAC5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc(C)c1Br
InChIInChI=1S/C8H13BrN4O/c1-5-6(9)7(11-3-4-14-2)13-8(10)12-5/h3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyVGNGJSZCEUPUAC-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.19
Rot. Bonds4

About 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 130658711) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID130658711
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc(C)c1Br
InChIInChI=1S/C8H13BrN4O/c1-5-6(9)7(11-3-4-14-2)13-8(10)12-5/h3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyVGNGJSZCEUPUAC-UHFFFAOYSA-N
XLogP1.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 134094187
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
CID 80766455
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103
2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170185964
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 18507317
6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 69081048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (CID 130658711) is 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is COCCNc1nc(N)nc(C)c1Br.
What is the InChIKey of 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is VGNGJSZCEUPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-5-6(9)7(11-3-4-14-2)13-8(10)12-5/h3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 261.12 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 130658711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).