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

C13H20BrN3 — CID 66300489

IUPAC5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(C2CCCCC2)nc(N)c1Br
InChIInChI=1S/C13H20BrN3/c1-8(2)11-10(14)12(15)17-13(16-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyBZFSBVVUVZUYDY-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.99
Rot. Bonds2

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

5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300489) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300489
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(C2CCCCC2)nc(N)c1Br
InChIInChI=1S/C13H20BrN3/c1-8(2)11-10(14)12(15)17-13(16-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyBZFSBVVUVZUYDY-UHFFFAOYSA-N
XLogP3.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine (CID 66300489) is 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(C2CCCCC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BZFSBVVUVZUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-8(2)11-10(14)12(15)17-13(16-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).