2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C20H24N8O2 — CID 59600527

IUPAC2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ccc(Oc3ccccn3)cn2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C20H24N8O2/c1-15-23-19(26-20(24-15)28-10-8-27(9-11-28)12-13-29)25-17-6-5-16(14-22-17)30-18-4-2-3-7-21-18/h2-7,14,29H,8-13H2,1H3,(H,22,23,24,25,26)
InChIKeyLRVAOTZZLMUFHE-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.62
Rot. Bonds7

About 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600527) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID59600527
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ccc(Oc3ccccn3)cn2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C20H24N8O2/c1-15-23-19(26-20(24-15)28-10-8-27(9-11-28)12-13-29)25-17-6-5-16(14-22-17)30-18-4-2-3-7-21-18/h2-7,14,29H,8-13H2,1H3,(H,22,23,24,25,26)
InChIKeyLRVAOTZZLMUFHE-UHFFFAOYSA-N
XLogP1.62
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600527) is 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ccc(Oc3ccccn3)cn2)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is LRVAOTZZLMUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-15-23-19(26-20(24-15)28-10-8-27(9-11-28)12-13-29)25-17-6-5-16(14-22-17)30-18-4-2-3-7-21-18/h2-7,14,29H,8-13H2,1H3,(H,22,23,24,25,26).
What are the key properties of 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 408.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-[(5-pyridin-2-yloxy-2-pyridinyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).