2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide

C12H18N6O — CID 80800872

IUPAC2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C12H18N6O/c1-3-4-15-12(19)8(2)16-10-11-14-5-6-18(11)7-9(13)17-10/h5-8H,3-4,13H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJTJWXYWBDMOUSY-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.64
Rot. Bonds5

About 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide

2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide (PubChem CID 80800872) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide
PubChem CID80800872
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C12H18N6O/c1-3-4-15-12(19)8(2)16-10-11-14-5-6-18(11)7-9(13)17-10/h5-8H,3-4,13H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJTJWXYWBDMOUSY-UHFFFAOYSA-N
XLogP0.64
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
CID 80848904
8-N-(5-methylhexan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80838339
2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylpropanamide
CID 80803281
8-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106390408
8-N-(1-methoxy-3-methylbutan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80841305
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80776875
3-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylpropanamide
CID 80814263
5-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]pentanamide
CID 106241738
8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80841859
3-[[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]hexan-1-ol
CID 106118645
8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80848887
8-N-(2-propylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80808245

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide (CID 80800872) is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(N)cn2ccnc12.
What is the InChIKey of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide?
The InChIKey is JTJWXYWBDMOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-4-15-12(19)8(2)16-10-11-14-5-6-18(11)7-9(13)17-10/h5-8H,3-4,13H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide?
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide has a molecular weight of 262.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80800872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).