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

C15H21BrN4 — CID 5138350

IUPACN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nc2ncccn2c1Br)C1CCCCC1
InChIInChI=1S/C15H21BrN4/c1-2-19(12-7-4-3-5-8-12)11-13-14(16)20-10-6-9-17-15(20)18-13/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyFZUXHMMWERFWLL-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.65
Rot. Bonds4

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

N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine (PubChem CID 5138350) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine
PubChem CID5138350
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nc2ncccn2c1Br)C1CCCCC1
InChIInChI=1S/C15H21BrN4/c1-2-19(12-7-4-3-5-8-12)11-13-14(16)20-10-6-9-17-15(20)18-13/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyFZUXHMMWERFWLL-UHFFFAOYSA-N
XLogP3.65
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
3-Bromoimidazo(1,2-a)pyrimidine
CID 2763871
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine
CID 5008895
2,3-Dimethylimidazo[1,2-a]pyrimidine
CID 23271151
7-Bromoimidazo[1,2-a]pyrimidine
CID 73012932
2-Bromoimidazo(1,2-a)pyrimidine
CID 82398509
3-Bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 118094604
1-Bromo-3-methylimidazo[1,5-a]pyrazine
CID 296224
3-Methylimidazo[1,2-a]pyrimidine
CID 13692639

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine (CID 5138350) is N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine is CCN(Cc1nc2ncccn2c1Br)C1CCCCC1.
What is the InChIKey of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine?
The InChIKey is FZUXHMMWERFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-2-19(12-7-4-3-5-8-12)11-13-14(16)20-10-6-9-17-15(20)18-13/h6,9-10,12H,2-5,7-8,11H2,1H3.
What are the key properties of N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine?
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine has a molecular weight of 337.27 g/mol, XLogP of 3.65, 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-ethylcyclohexanamine is sourced from PubChem (CID 5138350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).