5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine

C8H11BrN4 — CID 63872650

IUPAC5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESBrc1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H11BrN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13)
InChIKeySCPSQJAXCIJGSE-UHFFFAOYSA-N
MW243.11 g/mol
LogP1.01
Rot. Bonds2

About 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine

5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 63872650) has the molecular formula C8H11BrN4 and a molecular weight of 243.11 g/mol. Its IUPAC name is 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID63872650
Molecular FormulaC8H11BrN4
Molecular Weight243.11 g/mol
Exact Mass242.02
IUPAC Name5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESBrc1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H11BrN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13)
InChIKeySCPSQJAXCIJGSE-UHFFFAOYSA-N
XLogP1.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 63872650) is 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine is Brc1cnc(NC2CCNC2)nc1.
What is the InChIKey of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is SCPSQJAXCIJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13).
What are the key properties of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 243.11 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 63872650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).