5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine

C10H16BrN3 — CID 66300017

IUPAC5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine
SMILESCCc1nc(C(C)CC)nc(N)c1Br
InChIInChI=1S/C10H16BrN3/c1-4-6(3)10-13-7(5-2)8(11)9(12)14-10/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyUENFWPPURYYCJF-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.90
Rot. Bonds3

About 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine

5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine (PubChem CID 66300017) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine
PubChem CID66300017
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine
SMILESCCc1nc(C(C)CC)nc(N)c1Br
InChIInChI=1S/C10H16BrN3/c1-4-6(3)10-13-7(5-2)8(11)9(12)14-10/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyUENFWPPURYYCJF-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine (CID 66300017) is 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine is CCc1nc(C(C)CC)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine?
The InChIKey is UENFWPPURYYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-4-6(3)10-13-7(5-2)8(11)9(12)14-10/h6H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine?
5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine has a molecular weight of 258.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butan-2-yl-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 66300017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).