2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine

C18H30N6O3 — CID 19069528

IUPAC2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine
SMILESCOC1CCCN1c1nc(N2CCCC2OC)nc(N2CCCC2OC)n1
InChIInChI=1S/C18H30N6O3/c1-25-13-7-4-10-22(13)16-19-17(23-11-5-8-14(23)26-2)21-18(20-16)24-12-6-9-15(24)27-3/h13-15H,4-12H2,1-3H3
InChIKeyPBDIJAHDZRQZSA-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.59
Rot. Bonds6

About 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine

2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 19069528) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine
PubChem CID19069528
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine
SMILESCOC1CCCN1c1nc(N2CCCC2OC)nc(N2CCCC2OC)n1
InChIInChI=1S/C18H30N6O3/c1-25-13-7-4-10-22(13)16-19-17(23-11-5-8-14(23)26-2)21-18(20-16)24-12-6-9-15(24)27-3/h13-15H,4-12H2,1-3H3
InChIKeyPBDIJAHDZRQZSA-UHFFFAOYSA-N
XLogP1.59
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine (CID 19069528) is 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine is COC1CCCN1c1nc(N2CCCC2OC)nc(N2CCCC2OC)n1.
What is the InChIKey of 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is PBDIJAHDZRQZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-25-13-7-4-10-22(13)16-19-17(23-11-5-8-14(23)26-2)21-18(20-16)24-12-6-9-15(24)27-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine?
2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 378.48 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 19069528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).