2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine

C11H16N4O2 — CID 4020909

IUPAC2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESC=CCOc1nc(OC)nc(N2CCCC2)n1
InChIInChI=1S/C11H16N4O2/c1-3-8-17-11-13-9(12-10(14-11)16-2)15-6-4-5-7-15/h3H,1,4-8H2,2H3
InChIKeyIFLVELMEALKYOP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.05
Rot. Bonds5

About 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine

2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 4020909) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID4020909
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESC=CCOc1nc(OC)nc(N2CCCC2)n1
InChIInChI=1S/C11H16N4O2/c1-3-8-17-11-13-9(12-10(14-11)16-2)15-6-4-5-7-15/h3H,1,4-8H2,2H3
InChIKeyIFLVELMEALKYOP-UHFFFAOYSA-N
XLogP1.05
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-allyloxy-4,6-di(pyrrolidin-1-yl)-
CID 3238055
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
2-Allyloxy-4-ethoxy-6-piperidin-1-yl-[1,3,5]triazine
CID 3286572
4-(allyloxy)-N,N-dimethyl-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 3601901
2,4-Bis(prop-2-enoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 12205825
2-(4-Methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20520714
6-prop-2-enoxy-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303275
N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303278
N-methyl-4,6-bis(2-methylprop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303283
4-N-methyl-6-prop-2-enoxy-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303286
4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303296

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine (CID 4020909) is 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine is C=CCOc1nc(OC)nc(N2CCCC2)n1.
What is the InChIKey of 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is IFLVELMEALKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-8-17-11-13-9(12-10(14-11)16-2)15-6-4-5-7-15/h3H,1,4-8H2,2H3.
What are the key properties of 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 236.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 4020909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).