5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine

C11H16BrN3O — CID 106207427

IUPAC5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1ncnc(OCCC2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-2-13-10-9(12)11(15-7-14-10)16-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyXRSNHYCHWVUGGF-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.85
Rot. Bonds6

About 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine

5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine (PubChem CID 106207427) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine
PubChem CID106207427
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1ncnc(OCCC2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-2-13-10-9(12)11(15-7-14-10)16-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyXRSNHYCHWVUGGF-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
[5-bromo-6-(2-cyclopropylethoxy)pyrimidin-4-yl]hydrazine
CID 106207875
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
6-(2-cyclopropylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 114158214
5-bromo-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 114072952
5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 114073380
6-(2-cyclobutylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 106207740
6-(2-cyclopropylethoxy)-5-propylpyrimidin-4-amine
CID 106207430
2-cyclopropyl-6-(2-cyclopropylethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 106207562
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280
5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114071942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine (CID 106207427) is 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine is CCNc1ncnc(OCCC2CC2)c1Br.
What is the InChIKey of 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is XRSNHYCHWVUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-13-10-9(12)11(15-7-14-10)16-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine?
5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 286.17 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 106207427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).