5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine

C12H20BrN3O — CID 116729550

IUPAC5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(CC)c(Br)c(NC)n1
InChIInChI=1S/C12H20BrN3O/c1-5-8-10(13)12(14-4)16-11(15-8)9(6-2)17-7-3/h9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyRAXTZANCDIFUEQ-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.33
Rot. Bonds6

About 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 116729550) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID116729550
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(CC)c(Br)c(NC)n1
InChIInChI=1S/C12H20BrN3O/c1-5-8-10(13)12(14-4)16-11(15-8)9(6-2)17-7-3/h9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyRAXTZANCDIFUEQ-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
[2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116730430
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
CID 116731898
2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
CID 116729178
5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
CID 116729378
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 116729288
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66296714
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
6-ethyl-2-(1-methoxybutyl)-N,5-dimethylpyrimidin-4-amine
CID 116729190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine (CID 116729550) is 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine is CCOC(CC)c1nc(CC)c(Br)c(NC)n1.
What is the InChIKey of 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is RAXTZANCDIFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-5-8-10(13)12(14-4)16-11(15-8)9(6-2)17-7-3/h9H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 302.22 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116729550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).