4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine

C20H30N8O2 — CID 91184929

IUPAC4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine
SMILESc1cc(C2=NC(N3CCOCC3)N=C(N3CCOCC3)N2)cc(N2CCNCC2)n1
InChIInChI=1S/C20H30N8O2/c1-2-22-17(26-5-3-21-4-6-26)15-16(1)18-23-19(27-7-11-29-12-8-27)25-20(24-18)28-9-13-30-14-10-28/h1-2,15,19,21H,3-14H2,(H,23,24,25)
InChIKeyRHTASTIGRPVLRX-UHFFFAOYSA-N
MW414.51 g/mol
LogP-0.86
Rot. Bonds3

About 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine

4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine (PubChem CID 91184929) has the molecular formula C20H30N8O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine
PubChem CID91184929
Molecular FormulaC20H30N8O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC Name4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine
SMILESc1cc(C2=NC(N3CCOCC3)N=C(N3CCOCC3)N2)cc(N2CCNCC2)n1
InChIInChI=1S/C20H30N8O2/c1-2-22-17(26-5-3-21-4-6-26)15-16(1)18-23-19(27-7-11-29-12-8-27)25-20(24-18)28-9-13-30-14-10-28/h1-2,15,19,21H,3-14H2,(H,23,24,25)
InChIKeyRHTASTIGRPVLRX-UHFFFAOYSA-N
XLogP-0.86
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine?
The IUPAC name of 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine (CID 91184929) is 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine.
What is the SMILES notation for 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine?
The canonical SMILES for 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine is c1cc(C2=NC(N3CCOCC3)N=C(N3CCOCC3)N2)cc(N2CCNCC2)n1.
What is the InChIKey of 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine?
The InChIKey is RHTASTIGRPVLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O2/c1-2-22-17(26-5-3-21-4-6-26)15-16(1)18-23-19(27-7-11-29-12-8-27)25-20(24-18)28-9-13-30-14-10-28/h1-2,15,19,21H,3-14H2,(H,23,24,25).
What are the key properties of 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine?
4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine has a molecular weight of 414.51 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-morpholin-4-yl-6-(2-piperazin-1-yl-4-pyridinyl)-1,4-dihydro-1,3,5-triazin-4-yl]morpholine is sourced from PubChem (CID 91184929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).