5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine

C11H18BrN3O — CID 79196793

IUPAC5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)OC)nc(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-6-13-9-8(12)7(2)14-10(15-9)11(3,4)16-5/h6H2,1-5H3,(H,13,14,15)
InChIKeyZJSRCVJSFPKDPL-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.86
Rot. Bonds4

About 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine

5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine (PubChem CID 79196793) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine
PubChem CID79196793
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)OC)nc(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-6-13-9-8(12)7(2)14-10(15-9)11(3,4)16-5/h6H2,1-5H3,(H,13,14,15)
InChIKeyZJSRCVJSFPKDPL-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine (CID 79196793) is 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine is CCNc1nc(C(C)(C)OC)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine?
The InChIKey is ZJSRCVJSFPKDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-6-13-9-8(12)7(2)14-10(15-9)11(3,4)16-5/h6H2,1-5H3,(H,13,14,15).
What are the key properties of 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine has a molecular weight of 288.19 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79196793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).