6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine

C12H15BrN4O — CID 114120554

IUPAC6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOC1(CNc2nc(Br)cn3ccnc23)CCC1
InChIInChI=1S/C12H15BrN4O/c1-18-12(3-2-4-12)8-15-10-11-14-5-6-17(11)7-9(13)16-10/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyOIVZLMFUMANROH-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.47
Rot. Bonds4

About 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 114120554) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID114120554
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOC1(CNc2nc(Br)cn3ccnc23)CCC1
InChIInChI=1S/C12H15BrN4O/c1-18-12(3-2-4-12)8-15-10-11-14-5-6-17(11)7-9(13)16-10/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyOIVZLMFUMANROH-UHFFFAOYSA-N
XLogP2.47
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 114120554) is 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COC1(CNc2nc(Br)cn3ccnc23)CCC1.
What is the InChIKey of 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OIVZLMFUMANROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-18-12(3-2-4-12)8-15-10-11-14-5-6-17(11)7-9(13)16-10/h5-7H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 311.18 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 114120554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).