6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine

C14H21N7 — CID 114785647

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCN3CCCCC3C2)c2[nH]cnc2n1
InChIInChI=1S/C14H21N7/c1-15-14-18-12-11(16-9-17-12)13(19-14)21-7-6-20-5-3-2-4-10(20)8-21/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyLGZXKOZYUMJUBY-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.07
Rot. Bonds2

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine (PubChem CID 114785647) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
PubChem CID114785647
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCN3CCCCC3C2)c2[nH]cnc2n1
InChIInChI=1S/C14H21N7/c1-15-14-18-12-11(16-9-17-12)13(19-14)21-7-6-20-5-3-2-4-10(20)8-21/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyLGZXKOZYUMJUBY-UHFFFAOYSA-N
XLogP1.07
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine with MolForge

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Related Compounds

6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
2-[2-(methylamino)-7H-purin-6-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114786070
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
CID 114783973
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
CID 114785462
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80854580
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
6-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-7H-purin-2-amine
CID 72902832
[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 102939050
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987
(3R)-1-[2-(4-piperazin-1-ylanilino)-7H-purin-6-yl]piperidine-3-carboxylic acid
CID 71244213

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)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine (CID 114785647) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine is CNc1nc(N2CCN3CCCCC3C2)c2[nH]cnc2n1.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine?
The InChIKey is LGZXKOZYUMJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-15-14-18-12-11(16-9-17-12)13(19-14)21-7-6-20-5-3-2-4-10(20)8-21/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114785647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).