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

C13H24N6O — CID 95621840

IUPAC(1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H24N6O/c1-9(20)10-4-6-19(7-5-10)8-11-15-12(14)17-13(16-11)18(2)3/h9-10,20H,4-8H2,1-3H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyIONTVRULSRHGBJ-VIFPVBQESA-N
MW280.38 g/mol
LogP0.11
Rot. Bonds4

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

(1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 95621840) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
PubChem CID95621840
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name(1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H24N6O/c1-9(20)10-4-6-19(7-5-10)8-11-15-12(14)17-13(16-11)18(2)3/h9-10,20H,4-8H2,1-3H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyIONTVRULSRHGBJ-VIFPVBQESA-N
XLogP0.11
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol (CID 95621840) is (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol is C[C@H](O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is IONTVRULSRHGBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N6O/c1-9(20)10-4-6-19(7-5-10)8-11-15-12(14)17-13(16-11)18(2)3/h9-10,20H,4-8H2,1-3H3,(H2,14,15,16,17)/t9-/m0/s1.
What are the key properties of (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
(1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 280.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 95621840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).