5-bromo-N-ethoxy-N-methylpyrimidin-4-amine

C7H10BrN3O — CID 131159567

IUPAC5-bromo-N-ethoxy-N-methylpyrimidin-4-amine
SMILESCCON(C)c1ncncc1Br
InChIInChI=1S/C7H10BrN3O/c1-3-12-11(2)7-6(8)4-9-5-10-7/h4-5H,3H2,1-2H3
InChIKeyGDRWZVVURGNQHL-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.63
Rot. Bonds3

About 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine

5-bromo-N-ethoxy-N-methylpyrimidin-4-amine (PubChem CID 131159567) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethoxy-N-methylpyrimidin-4-amine
PubChem CID131159567
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-N-ethoxy-N-methylpyrimidin-4-amine
SMILESCCON(C)c1ncncc1Br
InChIInChI=1S/C7H10BrN3O/c1-3-12-11(2)7-6(8)4-9-5-10-7/h4-5H,3H2,1-2H3
InChIKeyGDRWZVVURGNQHL-UHFFFAOYSA-N
XLogP1.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.63
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-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 66319063
5-bromo-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 66319986
5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205369
5-bromo-N-[(4-ethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66339754
(2S)-1-[(5-bromopyrimidin-4-yl)-methylamino]propan-2-ol
CID 131203459
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine
CID 112551364
N-[(4-aminophenyl)methyl]-5-bromo-N-methylpyrimidin-4-amine
CID 66319954
2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 66341302
5-bromo-N-(2-chloroethyl)-N-ethylpyrimidin-4-amine
CID 66320500
5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66317935
5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66340835
5-bromo-4-(diethoxymethyl)pyrimidine
CID 133060355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine (CID 131159567) is 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine is CCON(C)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine?
The InChIKey is GDRWZVVURGNQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-3-12-11(2)7-6(8)4-9-5-10-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine?
5-bromo-N-ethoxy-N-methylpyrimidin-4-amine has a molecular weight of 232.08 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 131159567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).