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

C11H16BrN3O — CID 106207530

IUPAC5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCCC2CC2)n1
InChIInChI=1S/C11H16BrN3O/c1-2-13-11-14-7-9(12)10(15-11)16-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyLDLDRCOCPPWQDP-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.85
Rot. Bonds6

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

5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine (PubChem CID 106207530) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
PubChem CID106207530
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCCC2CC2)n1
InChIInChI=1S/C11H16BrN3O/c1-2-13-11-14-7-9(12)10(15-11)16-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyLDLDRCOCPPWQDP-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

3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine
CID 106207427
5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80858975
5-bromo-N-ethyl-4-(3-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80876466
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
4-(2-cyclopropylethoxy)-N,5-dimethylpyrimidin-2-amine
CID 106207519
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine (CID 106207530) is 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine is CCNc1ncc(Br)c(OCCC2CC2)n1.
What is the InChIKey of 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is LDLDRCOCPPWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-13-11-14-7-9(12)10(15-11)16-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine?
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-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-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 106207530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).