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

C14H26N6O — CID 126835634

IUPAC2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol
SMILESCC1CCCN(Cc2nc(N)nc(N(C)C)n2)C1CCO
InChIInChI=1S/C14H26N6O/c1-10-5-4-7-20(11(10)6-8-21)9-12-16-13(15)18-14(17-12)19(2)3/h10-11,21H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyOFEKFNOVALGTOY-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.50
Rot. Bonds5

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

2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol (PubChem CID 126835634) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol
PubChem CID126835634
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol
SMILESCC1CCCN(Cc2nc(N)nc(N(C)C)n2)C1CCO
InChIInChI=1S/C14H26N6O/c1-10-5-4-7-20(11(10)6-8-21)9-12-16-13(15)18-14(17-12)19(2)3/h10-11,21H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyOFEKFNOVALGTOY-UHFFFAOYSA-N
XLogP0.50
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol (CID 126835634) is 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol is CC1CCCN(Cc2nc(N)nc(N(C)C)n2)C1CCO.
What is the InChIKey of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol?
The InChIKey is OFEKFNOVALGTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-10-5-4-7-20(11(10)6-8-21)9-12-16-13(15)18-14(17-12)19(2)3/h10-11,21H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol?
2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol has a molecular weight of 294.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-methylpiperidin-2-yl]ethanol is sourced from PubChem (CID 126835634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).