2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine

C14H25N5O+2 — CID 162403950

IUPAC2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc([N+]2(C)CCCC2)nc([N+]2(C)CCCC2)n1
InChIInChI=1S/C14H25N5O/c1-18(8-4-5-9-18)12-15-13(17-14(16-12)20-3)19(2)10-6-7-11-19/h4-11H2,1-3H3/q+2
InChIKeyISLFVIVQLVERAY-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.34
Rot. Bonds3

About 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine

2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine (PubChem CID 162403950) has the molecular formula C14H25N5O+2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
PubChem CID162403950
Molecular FormulaC14H25N5O+2
Molecular Weight279.39 g/mol
Exact Mass279.20
IUPAC Name2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc([N+]2(C)CCCC2)nc([N+]2(C)CCCC2)n1
InChIInChI=1S/C14H25N5O/c1-18(8-4-5-9-18)12-15-13(17-14(16-12)20-3)19(2)10-6-7-11-19/h4-11H2,1-3H3/q+2
InChIKeyISLFVIVQLVERAY-UHFFFAOYSA-N
XLogP1.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-Methylhydrazino)-4,6-di(1-pyrrolidinyl)-1,3,5-triazine
CID 677265
(4,6-Dipyrrolidinyl(1,3,5-triazin-2-yl))propylamine
CID 3158873
{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 4020907
s-Triazine, 2,4-bis(dimethylamino)-6-(1-pyrrolidinyl)-
CID 202886
(4,6-Dipyrrolidinyl(1,3,5-triazin-2-yl))ethylamine
CID 1096073
Triazine, 2-amino-4,6-dipyrrolidino-
CID 204416
2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine
CID 79859
4,6-dimethoxy-N,N-dipropyl-1,3,5-triazin-2-amine
CID 977545
N,N-dipropyl-4,6-di-1-pyrrolidinyl-1,3,5-triazin-2-amine
CID 977729
2-Chloro-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
CID 255398
2-Methoxy-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
CID 4544332
2-Chloro-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine
CID 713803

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
The IUPAC name of 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine (CID 162403950) is 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine is COc1nc([N+]2(C)CCCC2)nc([N+]2(C)CCCC2)n1.
What is the InChIKey of 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
The InChIKey is ISLFVIVQLVERAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-18(8-4-5-9-18)12-15-13(17-14(16-12)20-3)19(2)10-6-7-11-19/h4-11H2,1-3H3/q+2.
What are the key properties of 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine has a molecular weight of 279.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine is sourced from PubChem (CID 162403950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).