1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

C12H17FN4 — CID 140981068

IUPAC1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESFc1cnc(C2NCCN3CCCCC23)nc1
InChIInChI=1S/C12H17FN4/c13-9-7-15-12(16-8-9)11-10-3-1-2-5-17(10)6-4-14-11/h7-8,10-11,14H,1-6H2
InChIKeyOJSAFWMXZMUOLT-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.11
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 140981068) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID140981068
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESFc1cnc(C2NCCN3CCCCC23)nc1
InChIInChI=1S/C12H17FN4/c13-9-7-15-12(16-8-9)11-10-3-1-2-5-17(10)6-4-14-11/h7-8,10-11,14H,1-6H2
InChIKeyOJSAFWMXZMUOLT-UHFFFAOYSA-N
XLogP1.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine with MolForge

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Related Compounds

1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
2-N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
5-fluoro-N~4~-methyl-N~2~-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pyrimidine-2,4-diamine diformate
CID 131896948
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
6-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-cyclopropylpyrimidin-4-amine
CID 164634071
1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 164636442
5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 171359425
4-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 15907833
1-(5-Fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 23228063
5-Fluoro-2-piperazin-2-ylpyrimidine
CID 53704182

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (CID 140981068) is 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is Fc1cnc(C2NCCN3CCCCC23)nc1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is OJSAFWMXZMUOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4/c13-9-7-15-12(16-8-9)11-10-3-1-2-5-17(10)6-4-14-11/h7-8,10-11,14H,1-6H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
1-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 236.29 g/mol, XLogP of 1.11, 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)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 140981068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).