1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C11H15FN4 — CID 23228063

IUPAC1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESFc1cnc(C2NCCN3CCCC23)nc1
InChIInChI=1S/C11H15FN4/c12-8-6-14-11(15-7-8)10-9-2-1-4-16(9)5-3-13-10/h6-7,9-10,13H,1-5H2
InChIKeyCECLLZOJBCDLTN-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.72
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 23228063) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID23228063
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESFc1cnc(C2NCCN3CCCC23)nc1
InChIInChI=1S/C11H15FN4/c12-8-6-14-11(15-7-8)10-9-2-1-4-16(9)5-3-13-10/h6-7,9-10,13H,1-5H2
InChIKeyCECLLZOJBCDLTN-UHFFFAOYSA-N
XLogP0.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
2-(Pyrrolidin-2-YL)pyrimidine
CID 18542479
1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
CID 51138331
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460080
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 98777341
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97115379
(8aS)-2-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124751267
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 125443539
N~2~-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 132409671
N-{1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl}-N,N',N'-trimethylethane-1,2-diamine
CID 132421179
1-[(2S)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 134689468

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 23228063) is 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is Fc1cnc(C2NCCN3CCCC23)nc1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is CECLLZOJBCDLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c12-8-6-14-11(15-7-8)10-9-2-1-4-16(9)5-3-13-10/h6-7,9-10,13H,1-5H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 222.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 23228063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).