2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C17H29N5O — CID 133420780

IUPAC2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCC(C)c1nc(N(C)C)nc(N2CCC3(O)CCCCC3C2)n1
InChIInChI=1S/C17H29N5O/c1-12(2)14-18-15(21(3)4)20-16(19-14)22-10-9-17(23)8-6-5-7-13(17)11-22/h12-13,23H,5-11H2,1-4H3
InChIKeyGYFSDUMGCOWNSP-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 133420780) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID133420780
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCC(C)c1nc(N(C)C)nc(N2CCC3(O)CCCCC3C2)n1
InChIInChI=1S/C17H29N5O/c1-12(2)14-18-15(21(3)4)20-16(19-14)22-10-9-17(23)8-6-5-7-13(17)11-22/h12-13,23H,5-11H2,1-4H3
InChIKeyGYFSDUMGCOWNSP-UHFFFAOYSA-N
XLogP2.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133418859
4-(3-ethylpyrrolidin-1-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133419484
4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133421718
1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 133421488
2-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81109320
2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108983
4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133421235
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108657
[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133420809
4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133419124
4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 167830308
2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115076

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 133420780) is 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is CC(C)c1nc(N(C)C)nc(N2CCC3(O)CCCCC3C2)n1.
What is the InChIKey of 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is GYFSDUMGCOWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12(2)14-18-15(21(3)4)20-16(19-14)22-10-9-17(23)8-6-5-7-13(17)11-22/h12-13,23H,5-11H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 319.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 133420780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).