6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine

C14H21BrN4 — CID 104507019

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(N2CCN3CCCCC3C2)c1Br
InChIInChI=1S/C14H21BrN4/c1-10-12(16)8-17-14(13(10)15)19-7-6-18-5-3-2-4-11(18)9-19/h8,11H,2-7,9,16H2,1H3
InChIKeyGHTCWEMYIBCDBJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.41
Rot. Bonds1

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine (PubChem CID 104507019) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine
PubChem CID104507019
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(N2CCN3CCCCC3C2)c1Br
InChIInChI=1S/C14H21BrN4/c1-10-12(16)8-17-14(13(10)15)19-7-6-18-5-3-2-4-11(18)9-19/h8,11H,2-7,9,16H2,1H3
InChIKeyGHTCWEMYIBCDBJ-UHFFFAOYSA-N
XLogP2.41
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine with MolForge

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Related Compounds

5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 104506751
5-bromo-6-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpyridin-3-amine
CID 104506822
5-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 66280868
2-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634396
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423
2-(5-bromo-3-nitro-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79919408
5-bromo-4-methyl-6-morpholin-4-ylpyridin-3-amine
CID 104506171
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine
CID 63151098
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromopyridin-3-amine
CID 79535543
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
2-(6-chloro-4,5-dimethylpyridazin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925334
5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine
CID 104506611

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine (CID 104507019) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine is Cc1c(N)cnc(N2CCN3CCCCC3C2)c1Br.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine?
The InChIKey is GHTCWEMYIBCDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-10-12(16)8-17-14(13(10)15)19-7-6-18-5-3-2-4-11(18)9-19/h8,11H,2-7,9,16H2,1H3.
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine has a molecular weight of 325.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine is sourced from PubChem (CID 104507019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).