3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine

C10H15BrN4 — CID 79532045

IUPAC3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
SMILESCN1CCC(Nc2ncc(N)cc2Br)C1
InChIInChI=1S/C10H15BrN4/c1-15-3-2-8(6-15)14-10-9(11)4-7(12)5-13-10/h4-5,8H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyOZFXVCFSQZWBFM-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.54
Rot. Bonds2

About 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine

3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine (PubChem CID 79532045) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
PubChem CID79532045
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
SMILESCN1CCC(Nc2ncc(N)cc2Br)C1
InChIInChI=1S/C10H15BrN4/c1-15-3-2-8(6-15)14-10-9(11)4-7(12)5-13-10/h4-5,8H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyOZFXVCFSQZWBFM-UHFFFAOYSA-N
XLogP1.54
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine (CID 79532045) is 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine is CN1CCC(Nc2ncc(N)cc2Br)C1.
What is the InChIKey of 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine?
The InChIKey is OZFXVCFSQZWBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c1-15-3-2-8(6-15)14-10-9(11)4-7(12)5-13-10/h4-5,8H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine?
3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine has a molecular weight of 271.16 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 79532045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).