2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate

C8H13ClN6O2 — CID 21434511

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C8H13ClN6O2/c1-10-6-13-5(9)14-7(15-6)12-3-4-17-8(16)11-2/h3-4H2,1-2H3,(H,11,16)(H2,10,12,13,14,15)
InChIKeyGPGXRXMLOJJANI-UHFFFAOYSA-N
MW260.69 g/mol
LogP0.33
Rot. Bonds5

About 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (PubChem CID 21434511) has the molecular formula C8H13ClN6O2 and a molecular weight of 260.69 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
PubChem CID21434511
Molecular FormulaC8H13ClN6O2
Molecular Weight260.69 g/mol
Exact Mass260.08
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C8H13ClN6O2/c1-10-6-13-5(9)14-7(15-6)12-3-4-17-8(16)11-2/h3-4H2,1-2H3,(H,11,16)(H2,10,12,13,14,15)
InChIKeyGPGXRXMLOJJANI-UHFFFAOYSA-N
XLogP0.33
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (CID 21434511) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is CNC(=O)OCCNc1nc(Cl)nc(NC)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The InChIKey is GPGXRXMLOJJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6O2/c1-10-6-13-5(9)14-7(15-6)12-3-4-17-8(16)11-2/h3-4H2,1-2H3,(H,11,16)(H2,10,12,13,14,15).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate has a molecular weight of 260.69 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is sourced from PubChem (CID 21434511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).