2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol

C11H20N6O — CID 60690303

IUPAC2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol
SMILESNc1nc(N)nc(CN2CCCCC2CCO)n1
InChIInChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-5-2-1-3-8(17)4-6-18/h8,18H,1-7H2,(H4,12,13,14,15,16)
InChIKeyJYQYVNKQOCOOLX-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.23
Rot. Bonds4

About 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol

2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 60690303) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol
PubChem CID60690303
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol
SMILESNc1nc(N)nc(CN2CCCCC2CCO)n1
InChIInChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-5-2-1-3-8(17)4-6-18/h8,18H,1-7H2,(H4,12,13,14,15,16)
InChIKeyJYQYVNKQOCOOLX-UHFFFAOYSA-N
XLogP-0.23
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol
CID 60669835
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-ol
CID 60670253
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]methanol
CID 60685082
2-[Cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60694589
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-2-yl]methanol
CID 62019874
2-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-2-yl]ethanol
CID 62021383
2-[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62357340
2-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-3-yl]ethanol
CID 62357851
3-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467465
3-[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467981
8-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768209

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol (CID 60690303) is 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol is Nc1nc(N)nc(CN2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is JYQYVNKQOCOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-5-2-1-3-8(17)4-6-18/h8,18H,1-7H2,(H4,12,13,14,15,16).
What are the key properties of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol?
2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60690303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).