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

C11H15BrN4 — CID 5008895

IUPACN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nc2ncccn2c1Br
InChIInChI=1S/C11H15BrN4/c1-3-15(4-2)8-9-10(12)16-7-5-6-13-11(16)14-9/h5-7H,3-4,8H2,1-2H3
InChIKeyPHKYQGWJEVISOH-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.33
Rot. Bonds4

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

N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine (PubChem CID 5008895) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine
PubChem CID5008895
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nc2ncccn2c1Br
InChIInChI=1S/C11H15BrN4/c1-3-15(4-2)8-9-10(12)16-7-5-6-13-11(16)14-9/h5-7H,3-4,8H2,1-2H3
InChIKeyPHKYQGWJEVISOH-UHFFFAOYSA-N
XLogP2.33
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Azidomethyl)imidazo(1,2-a)pyrimidine
CID 5192400
Imidazo(1,2-a)pyrimidine
CID 577018
2-Methylimidazo[1,2-a]pyrimidine
CID 12323629
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 3504009
N-ethyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)cyclohexanamine
CID 3917550
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine
CID 5138350
2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
Imidazo(1,5-a)pyrazine
CID 292283
2-(Chloromethyl)imidazo[1,2-a]pyrimidine
CID 1417908
3-Bromoimidazo(1,2-a)pyrimidine
CID 2763871
4-[4-(Pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
CID 134138572
2,3-Dimethylimidazo[1,2-a]pyrimidine
CID 23271151

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine (CID 5008895) is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine is CCN(CC)Cc1nc2ncccn2c1Br.
What is the InChIKey of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine?
The InChIKey is PHKYQGWJEVISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-3-15(4-2)8-9-10(12)16-7-5-6-13-11(16)14-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine?
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine has a molecular weight of 283.17 g/mol, XLogP of 2.33, 4 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-ethylethanamine is sourced from PubChem (CID 5008895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).