4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine

C11H16BrN3 — CID 112554790

IUPAC4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1nc(Br)cc(N2CCCC2)n1
InChIInChI=1S/C11H16BrN3/c1-8(2)11-13-9(12)7-10(14-11)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyMBVVZKZXDRHUNH-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.96
Rot. Bonds2

About 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine

4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 112554790) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID112554790
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1nc(Br)cc(N2CCCC2)n1
InChIInChI=1S/C11H16BrN3/c1-8(2)11-13-9(12)7-10(14-11)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyMBVVZKZXDRHUNH-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine (CID 112554790) is 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine is CC(C)c1nc(Br)cc(N2CCCC2)n1.
What is the InChIKey of 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is MBVVZKZXDRHUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8(2)11-13-9(12)7-10(14-11)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 270.17 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112554790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).