2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C14H22N4O — CID 81108540

IUPAC2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCNc1cc(N2CCC3(O)CCCCC3C2)ncn1
InChIInChI=1S/C14H22N4O/c1-15-12-8-13(17-10-16-12)18-7-6-14(19)5-3-2-4-11(14)9-18/h8,10-11,19H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyDMYRVFWVGVUPOO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.65
Rot. Bonds2

About 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81108540) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81108540
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCNc1cc(N2CCC3(O)CCCCC3C2)ncn1
InChIInChI=1S/C14H22N4O/c1-15-12-8-13(17-10-16-12)18-7-6-14(19)5-3-2-4-11(14)9-18/h8,10-11,19H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyDMYRVFWVGVUPOO-UHFFFAOYSA-N
XLogP1.65
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-[1-(methylamino)ethyl]-2-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096167
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pyridine-4-carboxylic acid
CID 81115228
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
2-(3-methylpyrazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 83064795
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025
2-(2-amino-6-chloropyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115050
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108646
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
2-quinoxalin-2-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097650
7-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81097351

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81108540) is 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is CNc1cc(N2CCC3(O)CCCCC3C2)ncn1.
What is the InChIKey of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is DMYRVFWVGVUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-12-8-13(17-10-16-12)18-7-6-14(19)5-3-2-4-11(14)9-18/h8,10-11,19H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 262.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81108540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).