2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate

C14H15Cl3N6O2 — CID 27378837

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCCNc1nc(Cl)nc(NCCOC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H15Cl3N6O2/c1-2-18-12-21-11(17)22-13(23-12)19-5-6-25-14(24)20-8-3-4-9(15)10(16)7-8/h3-4,7H,2,5-6H2,1H3,(H,20,24)(H2,18,19,21,22,23)
InChIKeyLZULWHOZBDBTCX-UHFFFAOYSA-N
MW405.67 g/mol
LogP3.92
Rot. Bonds7

About 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 27378837) has the molecular formula C14H15Cl3N6O2 and a molecular weight of 405.67 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID27378837
Molecular FormulaC14H15Cl3N6O2
Molecular Weight405.67 g/mol
Exact Mass404.03
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCCNc1nc(Cl)nc(NCCOC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H15Cl3N6O2/c1-2-18-12-21-11(17)22-13(23-12)19-5-6-25-14(24)20-8-3-4-9(15)10(16)7-8/h3-4,7H,2,5-6H2,1H3,(H,20,24)(H2,18,19,21,22,23)
InChIKeyLZULWHOZBDBTCX-UHFFFAOYSA-N
XLogP3.92
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.67
LogP ≤ 53.92
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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Related Compounds

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434514
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl 3-methylbutanoate
CID 159240660
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
CID 134122952
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine
CID 87296700
3-bromopropyl N-(3-chloro-4-methylphenyl)carbamate
CID 103970695
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate (CID 27378837) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate is CCNc1nc(Cl)nc(NCCOC(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is LZULWHOZBDBTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N6O2/c1-2-18-12-21-11(17)22-13(23-12)19-5-6-25-14(24)20-8-3-4-9(15)10(16)7-8/h3-4,7H,2,5-6H2,1H3,(H,20,24)(H2,18,19,21,22,23).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 405.67 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 27378837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).