2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one

C11H16N4O — CID 124746012

IUPAC2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCN3CCC[C@H]3C2)[nH]1
InChIInChI=1S/C11H16N4O/c16-10-3-4-12-11(13-10)15-7-6-14-5-1-2-9(14)8-15/h3-4,9H,1-2,5-8H2,(H,12,13,16)/t9-/m0/s1
InChIKeyJMXXAQYGEFKPCR-VIFPVBQESA-N
MW220.28 g/mol
LogP0.05
Rot. Bonds1

About 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one (PubChem CID 124746012) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one
PubChem CID124746012
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCN3CCC[C@H]3C2)[nH]1
InChIInChI=1S/C11H16N4O/c16-10-3-4-12-11(13-10)15-7-6-14-5-1-2-9(14)8-15/h3-4,9H,1-2,5-8H2,(H,12,13,16)/t9-/m0/s1
InChIKeyJMXXAQYGEFKPCR-VIFPVBQESA-N
XLogP0.05
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 69625639
2-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 89543813
2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 117224315
2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one
CID 135294588
2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 141111973
2-(piperidin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 145572095
2-[ethyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 164106120
2-[(3R)-3-(cyclopropylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 168958216
2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
CID 169083048
2-[3-(cyclopropylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 169743680

Frequently Asked Questions

What is the IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one (CID 124746012) is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one is O=c1ccnc(N2CCN3CCC[C@H]3C2)[nH]1.
What is the InChIKey of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is JMXXAQYGEFKPCR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O/c16-10-3-4-12-11(13-10)15-7-6-14-5-1-2-9(14)8-15/h3-4,9H,1-2,5-8H2,(H,12,13,16)/t9-/m0/s1.
What are the key properties of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one?
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 220.28 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 124746012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).