N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

C13H19BrN4O2 — CID 3504009

IUPACN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)Cc1nc2ncccn2c1Br
InChIInChI=1S/C13H19BrN4O2/c1-19-8-6-17(7-9-20-2)10-11-12(14)18-5-3-4-15-13(18)16-11/h3-5H,6-10H2,1-2H3
InChIKeyLWJCLLIZGZHWJU-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.59
Rot. Bonds8

About N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 3504009) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID3504009
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)Cc1nc2ncccn2c1Br
InChIInChI=1S/C13H19BrN4O2/c1-19-8-6-17(7-9-20-2)10-11-12(14)18-5-3-4-15-13(18)16-11/h3-5H,6-10H2,1-2H3
InChIKeyLWJCLLIZGZHWJU-UHFFFAOYSA-N
XLogP1.59
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 3504009) is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is COCCN(CCOC)Cc1nc2ncccn2c1Br.
What is the InChIKey of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is LWJCLLIZGZHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-19-8-6-17(7-9-20-2)10-11-12(14)18-5-3-4-15-13(18)16-11/h3-5H,6-10H2,1-2H3.
What are the key properties of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 343.23 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 3504009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).