2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate

C13H23ClN6O2 — CID 21434534

IUPAC2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C13H23ClN6O2/c1-5-20(6-2)13(21)22-8-7-15-11-17-10(14)18-12(19-11)16-9(3)4/h9H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyQLKZPGLTIANMRA-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.24
Rot. Bonds8

About 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate

2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate (PubChem CID 21434534) has the molecular formula C13H23ClN6O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate.

Molecular Properties

Compound Name2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate
PubChem CID21434534
Molecular FormulaC13H23ClN6O2
Molecular Weight330.82 g/mol
Exact Mass330.16
IUPAC Name2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C13H23ClN6O2/c1-5-20(6-2)13(21)22-8-7-15-11-17-10(14)18-12(19-11)16-9(3)4/h9H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyQLKZPGLTIANMRA-UHFFFAOYSA-N
XLogP2.24
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate with MolForge

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Related Compounds

Methyl (2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)carbamate
CID 2185926
N-[2-(4-Dimethylamino-6-ethylamino-[1,3,5]triazin-2-yloxy)-ethyl]-acetamide
CID 3156767
Proglinazine-ethyl
CID 50107
N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
CID 6492110
6-chloro-4-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 21161205
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
CID 21434511
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434514
2-Chloro-4-(3-Methoxypropylamino)-6-(2-[Methylcarbamyloxy]ethylamino)-s-Triazine
CID 21434527
1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
CID 21434530
2-[[4-chloro-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-propan-2-ylcarbamate
CID 21434532
2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate
CID 21434541
2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434550

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate?
The IUPAC name of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate (CID 21434534) is 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate.
What is the SMILES notation for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate?
The canonical SMILES for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCCNc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate?
The InChIKey is QLKZPGLTIANMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN6O2/c1-5-20(6-2)13(21)22-8-7-15-11-17-10(14)18-12(19-11)16-9(3)4/h9H,5-8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate?
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate has a molecular weight of 330.82 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate is sourced from PubChem (CID 21434534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).