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

C10H17ClN6O2 — CID 21434514

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCNc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C10H17ClN6O2/c1-3-12-8-15-7(11)16-9(17-8)14-5-6-19-10(18)13-4-2/h3-6H2,1-2H3,(H,13,18)(H2,12,14,15,16,17)
InChIKeyRZCGWJGIYXJWLU-UHFFFAOYSA-N
MW288.74 g/mol
LogP1.11
Rot. Bonds7

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

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate (PubChem CID 21434514) has the molecular formula C10H17ClN6O2 and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
PubChem CID21434514
Molecular FormulaC10H17ClN6O2
Molecular Weight288.74 g/mol
Exact Mass288.11
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCNc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C10H17ClN6O2/c1-3-12-8-15-7(11)16-9(17-8)14-5-6-19-10(18)13-4-2/h3-6H2,1-2H3,(H,13,18)(H2,12,14,15,16,17)
InChIKeyRZCGWJGIYXJWLU-UHFFFAOYSA-N
XLogP1.11
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 51.11
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-(3-methoxypropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434566
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate
CID 27378837
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
2-[[4-chloro-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-propan-2-ylcarbamate
CID 21434532
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine
CID 87296700
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
6-chloro-4-N-ethyl-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819261

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate (CID 21434514) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate is CCNC(=O)OCCNc1nc(Cl)nc(NCC)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate?
The InChIKey is RZCGWJGIYXJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6O2/c1-3-12-8-15-7(11)16-9(17-8)14-5-6-19-10(18)13-4-2/h3-6H2,1-2H3,(H,13,18)(H2,12,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate has a molecular weight of 288.74 g/mol, XLogP of 1.11, 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-ethylcarbamate is sourced from PubChem (CID 21434514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).