N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine

C14H19BrN4O — CID 79177061

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESBrc1cn2c(CNCCCOCC3CC3)cnc2cn1
InChIInChI=1S/C14H19BrN4O/c15-13-9-19-12(7-18-14(19)8-17-13)6-16-4-1-5-20-10-11-2-3-11/h7-9,11,16H,1-6,10H2
InChIKeyPSOXIYDKMPNLDA-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.40
Rot. Bonds8

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine (PubChem CID 79177061) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
PubChem CID79177061
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESBrc1cn2c(CNCCCOCC3CC3)cnc2cn1
InChIInChI=1S/C14H19BrN4O/c15-13-9-19-12(7-18-14(19)8-17-13)6-16-4-1-5-20-10-11-2-3-11/h7-9,11,16H,1-6,10H2
InChIKeyPSOXIYDKMPNLDA-UHFFFAOYSA-N
XLogP2.40
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine (CID 79177061) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine is Brc1cn2c(CNCCCOCC3CC3)cnc2cn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The InChIKey is PSOXIYDKMPNLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c15-13-9-19-12(7-18-14(19)8-17-13)6-16-4-1-5-20-10-11-2-3-11/h7-9,11,16H,1-6,10H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine has a molecular weight of 339.24 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine is sourced from PubChem (CID 79177061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).