5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine

C13H22BrN3O — CID 116729325

IUPAC5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CC)OCC)nc(C)c1Br
InChIInChI=1S/C13H22BrN3O/c1-5-8-15-13-11(14)9(4)16-12(17-13)10(6-2)18-7-3/h10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyYAPCPAMCFLDCAN-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.86
Rot. Bonds7

About 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116729325) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116729325
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CC)OCC)nc(C)c1Br
InChIInChI=1S/C13H22BrN3O/c1-5-8-15-13-11(14)9(4)16-12(17-13)10(6-2)18-7-3/h10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyYAPCPAMCFLDCAN-UHFFFAOYSA-N
XLogP3.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 113391676
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116729248
5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 116776509
5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
CID 116729378
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine (CID 116729325) is 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(CC)OCC)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is YAPCPAMCFLDCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-5-8-15-13-11(14)9(4)16-12(17-13)10(6-2)18-7-3/h10H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 316.24 g/mol, XLogP of 3.86, 7 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-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116729325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).