N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide

C13H20N6O — CID 80788012

IUPACN-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide
SMILESCCCNc1cn2ccnc2c(NCCNC(C)=O)n1
InChIInChI=1S/C13H20N6O/c1-3-4-15-11-9-19-8-7-17-13(19)12(18-11)16-6-5-14-10(2)20/h7-9,15H,3-6H2,1-2H3,(H,14,20)(H,16,18)
InChIKeyYGXAAIDRSBPQAK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.10
Rot. Bonds7

About N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide

N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide (PubChem CID 80788012) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide
PubChem CID80788012
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide
SMILESCCCNc1cn2ccnc2c(NCCNC(C)=O)n1
InChIInChI=1S/C13H20N6O/c1-3-4-15-11-9-19-8-7-17-13(19)12(18-11)16-6-5-14-10(2)20/h7-9,15H,3-6H2,1-2H3,(H,14,20)(H,16,18)
InChIKeyYGXAAIDRSBPQAK-UHFFFAOYSA-N
XLogP1.10
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80787809
2,2-dimethyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanamide
CID 106280633
8-N-(2-propan-2-yloxyethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 104767136
2-methyl-1-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80842987
8-N-(2-methylpentan-3-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80802760
6-N,8-N,8-N-tripropylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80764672
2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol
CID 106248951
6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80835650
8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80751543
8-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80795251
8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80826533
8-N-[(4-methylthiophen-3-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80838502

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide (CID 80788012) is N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide is CCCNc1cn2ccnc2c(NCCNC(C)=O)n1.
What is the InChIKey of N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide?
The InChIKey is YGXAAIDRSBPQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-4-15-11-9-19-8-7-17-13(19)12(18-11)16-6-5-14-10(2)20/h7-9,15H,3-6H2,1-2H3,(H,14,20)(H,16,18).
What are the key properties of N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide?
N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide is sourced from PubChem (CID 80788012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).