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

C13H19FN4 — CID 90905927

IUPAC2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESCC12CCCCN1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4/c1-13-4-2-3-5-18(13)7-6-17(10-13)12-15-8-11(14)9-16-12/h8-9H,2-7,10H2,1H3
InChIKeyASEXQUPSNFYSCD-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.68
Rot. Bonds1

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

2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 90905927) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID90905927
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESCC12CCCCN1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4/c1-13-4-2-3-5-18(13)7-6-17(10-13)12-15-8-11(14)9-16-12/h8-9H,2-7,10H2,1H3
InChIKeyASEXQUPSNFYSCD-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
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
6-Methyl-2-(5-methylpyrimidin-2-yl)-2,6-diazaspiro[4.5]decane
CID 118742199
5-Fluoro-2,4-di(piperidin-1-yl)pyrimidine
CID 677821
1-(Cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
CID 97385700
5-fluoro-N~4~-methyl-N~2~-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pyrimidine-2,4-diamine diformate
CID 131896948
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
5-fluoro-N~4~,N~4~-dimethyl-N~2~-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}pyrimidine-2,4-diamine
CID 135119590
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine
CID 164635586
2-(5-Fluoropyrimidin-2-yl)-7-(methoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 20654291
2-[4-(3,3-Dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine
CID 20701261

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine (CID 90905927) is 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine is CC12CCCCN1CCN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is ASEXQUPSNFYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c1-13-4-2-3-5-18(13)7-6-17(10-13)12-15-8-11(14)9-16-12/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 250.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-9a-methyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 90905927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).