5-bromo-6-propan-2-ylpyrimidin-4-amine

C7H10BrN3 — CID 66300490

IUPAC5-bromo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1ncnc(N)c1Br
InChIInChI=1S/C7H10BrN3/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyCICPTJIUZQNCQR-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.94
Rot. Bonds1

About 5-bromo-6-propan-2-ylpyrimidin-4-amine

5-bromo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300490) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-bromo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300490
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name5-bromo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1ncnc(N)c1Br
InChIInChI=1S/C7H10BrN3/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyCICPTJIUZQNCQR-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-ylpyrimidin-4-amine (CID 66300490) is 5-bromo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1ncnc(N)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CICPTJIUZQNCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3,(H2,9,10,11).
What are the key properties of 5-bromo-6-propan-2-ylpyrimidin-4-amine?
5-bromo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 216.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).