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

C12H22N6O3 — CID 21434556

IUPAC2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNc1nc(NCC(C)C)nc(OC)n1
InChIInChI=1S/C12H22N6O3/c1-8(2)7-15-10-16-9(17-11(18-10)20-4)14-5-6-21-12(19)13-3/h8H,5-7H2,1-4H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyWHVLRZBZEIINAU-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.72
Rot. Bonds8

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

2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (PubChem CID 21434556) has the molecular formula C12H22N6O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
PubChem CID21434556
Molecular FormulaC12H22N6O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNc1nc(NCC(C)C)nc(OC)n1
InChIInChI=1S/C12H22N6O3/c1-8(2)7-15-10-16-9(17-11(18-10)20-4)14-5-6-21-12(19)13-3/h8H,5-7H2,1-4H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyWHVLRZBZEIINAU-UHFFFAOYSA-N
XLogP0.72
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (CID 21434556) is 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is CNC(=O)OCCNc1nc(NCC(C)C)nc(OC)n1.
What is the InChIKey of 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The InChIKey is WHVLRZBZEIINAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3/c1-8(2)7-15-10-16-9(17-11(18-10)20-4)14-5-6-21-12(19)13-3/h8H,5-7H2,1-4H3,(H,13,19)(H2,14,15,16,17,18).
What are the key properties of 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate has a molecular weight of 298.35 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is sourced from PubChem (CID 21434556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).