(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one

C12H19N3O — CID 61147289

IUPAC(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
SMILESCc1ccc2n1CCN(C(=O)[C@H](C)N)C2C
InChIInChI=1S/C12H19N3O/c1-8-4-5-11-10(3)15(7-6-14(8)11)12(16)9(2)13/h4-5,9-10H,6-7,13H2,1-3H3/t9-,10?/m0/s1
InChIKeyQEBJORXHKNGHBX-RGURZIINSA-N
MW221.30 g/mol
LogP1.05
Rot. Bonds1

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

(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one (PubChem CID 61147289) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
PubChem CID61147289
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
SMILESCc1ccc2n1CCN(C(=O)[C@H](C)N)C2C
InChIInChI=1S/C12H19N3O/c1-8-4-5-11-10(3)15(7-6-14(8)11)12(16)9(2)13/h4-5,9-10H,6-7,13H2,1-3H3/t9-,10?/m0/s1
InChIKeyQEBJORXHKNGHBX-RGURZIINSA-N
XLogP1.05
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone
CID 61165191
(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
CID 107144351
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852555
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 65417599
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 60628219
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(propan-2-ylamino)butan-1-one
CID 60937207
(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 61115025
1,6-dimethyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 59988901
(4-amino-5-methyl-1H-pyrazol-3-yl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 62081428
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)propan-1-one
CID 55121527
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
CID 79806177
(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 60628232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one (CID 61147289) is (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one is Cc1ccc2n1CCN(C(=O)[C@H](C)N)C2C.
What is the InChIKey of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
The InChIKey is QEBJORXHKNGHBX-RGURZIINSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-5-11-10(3)15(7-6-14(8)11)12(16)9(2)13/h4-5,9-10H,6-7,13H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one is sourced from PubChem (CID 61147289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).