5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine

C11H16BrN3O — CID 103748709

IUPAC5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCC2CCC2)ncc1Br
InChIInChI=1S/C11H16BrN3O/c1-16-10-9(12)7-14-11(15-10)13-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyTYRCIKNDUJHMFV-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.85
Rot. Bonds5

About 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine (PubChem CID 103748709) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
PubChem CID103748709
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCC2CCC2)ncc1Br
InChIInChI=1S/C11H16BrN3O/c1-16-10-9(12)7-14-11(15-10)13-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyTYRCIKNDUJHMFV-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
N-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106997593
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 106998147
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methoxypyrimidin-2-amine
CID 106999790
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine
CID 154736370
5-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 103745781
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine (CID 103748709) is 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine is COc1nc(NCCC2CCC2)ncc1Br.
What is the InChIKey of 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is TYRCIKNDUJHMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-16-10-9(12)7-14-11(15-10)13-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 103748709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).