(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone

C17H21N3O — CID 61165191

IUPAC(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone
SMILESCc1ccc2n1CCN(C(=O)[C@H](N)c1ccccc1)C2C
InChIInChI=1S/C17H21N3O/c1-12-8-9-15-13(2)20(11-10-19(12)15)17(21)16(18)14-6-4-3-5-7-14/h3-9,13,16H,10-11,18H2,1-2H3/t13?,16-/m1/s1
InChIKeyXWCGUELCDXYKFJ-FQNRMIAFSA-N
MW283.38 g/mol
LogP2.40
Rot. Bonds2

About (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone

(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone (PubChem CID 61165191) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone
PubChem CID61165191
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone
SMILESCc1ccc2n1CCN(C(=O)[C@H](N)c1ccccc1)C2C
InChIInChI=1S/C17H21N3O/c1-12-8-9-15-13(2)20(11-10-19(12)15)17(21)16(18)14-6-4-3-5-7-14/h3-9,13,16H,10-11,18H2,1-2H3/t13?,16-/m1/s1
InChIKeyXWCGUELCDXYKFJ-FQNRMIAFSA-N
XLogP2.40
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 61147289
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852555
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 65417599
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
CID 129436950
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 119330766
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone (CID 61165191) is (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone is Cc1ccc2n1CCN(C(=O)[C@H](N)c1ccccc1)C2C.
What is the InChIKey of (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone?
The InChIKey is XWCGUELCDXYKFJ-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-9-15-13(2)20(11-10-19(12)15)17(21)16(18)14-6-4-3-5-7-14/h3-9,13,16H,10-11,18H2,1-2H3/t13?,16-/m1/s1.
What are the key properties of (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone?
(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone has a molecular weight of 283.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone is sourced from PubChem (CID 61165191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).