(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one

C12H20N4O — CID 104903447

IUPAC(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H20N4O/c1-9(2)7-10(13)12(17)16-6-5-15-4-3-14-11(15)8-16/h3-4,9-10H,5-8,13H2,1-2H3/t10-/m1/s1
InChIKeyPUFAWJOANPHLQL-SNVBAGLBSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds3

About (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one

(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one (PubChem CID 104903447) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one
PubChem CID104903447
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H20N4O/c1-9(2)7-10(13)12(17)16-6-5-15-4-3-14-11(15)8-16/h3-4,9-10H,5-8,13H2,1-2H3/t10-/m1/s1
InChIKeyPUFAWJOANPHLQL-SNVBAGLBSA-N
XLogP0.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one?
The IUPAC name of (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one (CID 104903447) is (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one?
The canonical SMILES for (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one is CC(C)C[C@@H](N)C(=O)N1CCn2ccnc2C1.
What is the InChIKey of (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one?
The InChIKey is PUFAWJOANPHLQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)7-10(13)12(17)16-6-5-15-4-3-14-11(15)8-16/h3-4,9-10H,5-8,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one?
(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one has a molecular weight of 236.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one is sourced from PubChem (CID 104903447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).