N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine

C13H19BrN4 — CID 5202336

IUPACN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nc2ncccn2c1Br
InChIInChI=1S/C13H19BrN4/c1-3-7-17(8-4-2)10-11-12(14)18-9-5-6-15-13(18)16-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyFQHZVANSFJNLQI-UHFFFAOYSA-N
MW311.23 g/mol
LogP3.11
Rot. Bonds6

About N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine

N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine (PubChem CID 5202336) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine
PubChem CID5202336
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nc2ncccn2c1Br
InChIInChI=1S/C13H19BrN4/c1-3-7-17(8-4-2)10-11-12(14)18-9-5-6-15-13(18)16-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyFQHZVANSFJNLQI-UHFFFAOYSA-N
XLogP3.11
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine (CID 5202336) is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1nc2ncccn2c1Br.
What is the InChIKey of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine?
The InChIKey is FQHZVANSFJNLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c1-3-7-17(8-4-2)10-11-12(14)18-9-5-6-15-13(18)16-11/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine?
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine has a molecular weight of 311.23 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 5202336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).