HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

Carbamic acid, (4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, phenyl ester

HCID 3080144
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
127374-99-6
Standard SMILES
CCCc1nc(NC(=O)Oc2ccccc2)nc(N2CCOCC2)n1
InChIKey
ILRLHUZRLDCWCU-UHFFFAOYSA-N
Molecular formula
C17H21N5O3
Average molar mass
343.4 g/mol
Monoisotopic mass
343.16443955

Names & identifiers

Preferred name
Carbamic acid, (4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, phenyl ester
IUPAC
phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate

Names & synonyms

127374-99-6Carbamic acid, (4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, phenyl esterPhenyl (4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)carbamateDTXSID80155522RefChem:332097DTXCID2078013phenyl (4-morpholino-6-propyl-1,3,5-triazin-2-yl)carbamateILRLHUZRLDCWCU-UHFFFAOYSA-Nphenyl(4-morpholino-6-propyl-1,3,5-triazin-2-yl)carbamatePhenyl [4-(morpholin-4-yl)-6-propyl-1,3,5-triazin-2-yl]carbamate

Database identifiers

CAS
127374-99-6
PubChem CID
3080144
DTXSID
DTXSID80155522

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
89.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
413

Related reactions

4 records
New reaction record
HRID 1031870 reaction equation
HRID 1031870As reactantuspto-grants-1990_09
HRID 1031876 reaction equation
HRID 1031876As reactantuspto-grants-1990_09
HRID 1230099 reaction equation
HRID 1230099As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2340046 reaction equation
HRID 2340046As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes