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

C10H17N4O2+ — CID 18420008

IUPAC2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc([N+]2(C)CCCC2)n1
InChIInChI=1S/C10H17N4O2/c1-14(6-4-5-7-14)8-11-9(15-2)13-10(12-8)16-3/h4-7H2,1-3H3/q+1
InChIKeyOETDXZAAGCPFLH-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.62
Rot. Bonds3

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

2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine (PubChem CID 18420008) has the molecular formula C10H17N4O2+ and a molecular weight of 225.27 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
PubChem CID18420008
Molecular FormulaC10H17N4O2+
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc([N+]2(C)CCCC2)n1
InChIInChI=1S/C10H17N4O2/c1-14(6-4-5-7-14)8-11-9(15-2)13-10(12-8)16-3/h4-7H2,1-3H3/q+1
InChIKeyOETDXZAAGCPFLH-UHFFFAOYSA-N
XLogP0.62
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-Methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]prop-2-en-1-ylcyanamide
CID 714969
1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetraethyl-6-methoxy-
CID 27285
s-Triazine, 2,4-bis(dimethylamino)-6-(1-pyrrolidinyl)-
CID 202886
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)azepane
CID 818684
4,6-dimethoxy-N,N-dipropyl-1,3,5-triazin-2-amine
CID 977545
2,4-Dimethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 816732
2-(1-Ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
CID 18420077
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
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
2-Chloro-4-di-n-propylamino-6-methoxy-sym-triazine
CID 62858664
2-Methoxy-4-di-n-propylamino-6-methoxyamino-sym-triazine
CID 129788983

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine (CID 18420008) is 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine is COc1nc(OC)nc([N+]2(C)CCCC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
The InChIKey is OETDXZAAGCPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N4O2/c1-14(6-4-5-7-14)8-11-9(15-2)13-10(12-8)16-3/h4-7H2,1-3H3/q+1.
What are the key properties of 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine?
2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine has a molecular weight of 225.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine is sourced from PubChem (CID 18420008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).