5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine

C11H16BrN3 — CID 131140802

IUPAC5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine
SMILESCCC1(Nc2nc(C)nc(C)c2Br)CC1
InChIInChI=1S/C11H16BrN3/c1-4-11(5-6-11)15-10-9(12)7(2)13-8(3)14-10/h4-6H2,1-3H3,(H,13,14,15)
InChIKeySAYWIVWWZODYKB-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.21
Rot. Bonds3

About 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine

5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 131140802) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID131140802
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine
SMILESCCC1(Nc2nc(C)nc(C)c2Br)CC1
InChIInChI=1S/C11H16BrN3/c1-4-11(5-6-11)15-10-9(12)7(2)13-8(3)14-10/h4-6H2,1-3H3,(H,13,14,15)
InChIKeySAYWIVWWZODYKB-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine (CID 131140802) is 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine is CCC1(Nc2nc(C)nc(C)c2Br)CC1.
What is the InChIKey of 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is SAYWIVWWZODYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-4-11(5-6-11)15-10-9(12)7(2)13-8(3)14-10/h4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine?
5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 270.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 131140802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).