N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine

C11H17BrN4 — CID 63873612

IUPACN-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H17BrN4/c1-2-13-8-10-4-3-5-16(10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3
InChIKeyCXVOOACSFCLLOX-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.82
Rot. Bonds4

About N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 63873612) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID63873612
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC NameN-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H17BrN4/c1-2-13-8-10-4-3-5-16(10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3
InChIKeyCXVOOACSFCLLOX-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine (CID 63873612) is N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1c1ncc(Br)cn1.
What is the InChIKey of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is CXVOOACSFCLLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-2-13-8-10-4-3-5-16(10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3.
What are the key properties of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 285.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63873612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).