6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol

C15H24N8O2 — CID 20782135

IUPAC6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol
SMILESCC(O)c1ncnc(N2C[C@@H](C)N(C3=NC=NC(O)N3C)[C@@H](C)C2)n1
InChIInChI=1S/C15H24N8O2/c1-9-5-22(13-17-7-16-12(20-13)11(3)24)6-10(2)23(9)14-18-8-19-15(25)21(14)4/h7-11,15,24-25H,5-6H2,1-4H3/t9-,10+,11?,15?
InChIKeyDBEUPNQXWJEDDU-SWKMLJDHSA-N
MW348.41 g/mol
LogP-0.57
Rot. Bonds2

About 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol

6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol (PubChem CID 20782135) has the molecular formula C15H24N8O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol.

Molecular Properties

Compound Name6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol
PubChem CID20782135
Molecular FormulaC15H24N8O2
Molecular Weight348.41 g/mol
Exact Mass348.20
IUPAC Name6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol
SMILESCC(O)c1ncnc(N2C[C@@H](C)N(C3=NC=NC(O)N3C)[C@@H](C)C2)n1
InChIInChI=1S/C15H24N8O2/c1-9-5-22(13-17-7-16-12(20-13)11(3)24)6-10(2)23(9)14-18-8-19-15(25)21(14)4/h7-11,15,24-25H,5-6H2,1-4H3/t9-,10+,11?,15?
InChIKeyDBEUPNQXWJEDDU-SWKMLJDHSA-N
XLogP-0.57
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol?
The IUPAC name of 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol (CID 20782135) is 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol.
What is the SMILES notation for 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol?
The canonical SMILES for 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol is CC(O)c1ncnc(N2C[C@@H](C)N(C3=NC=NC(O)N3C)[C@@H](C)C2)n1.
What is the InChIKey of 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol?
The InChIKey is DBEUPNQXWJEDDU-SWKMLJDHSA-N. The full InChI is InChI=1S/C15H24N8O2/c1-9-5-22(13-17-7-16-12(20-13)11(3)24)6-10(2)23(9)14-18-8-19-15(25)21(14)4/h7-11,15,24-25H,5-6H2,1-4H3/t9-,10+,11?,15?.
What are the key properties of 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol?
6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol has a molecular weight of 348.41 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6S)-4-[4-(1-hydroxyethyl)-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]-1-methyl-2H-1,3,5-triazin-2-ol is sourced from PubChem (CID 20782135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).