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

C14H25ClN6O3 — CID 21434541

IUPAC2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCCNc1nc(Cl)nc(NCOC)n1
InChIInChI=1S/C14H25ClN6O3/c1-3-4-5-6-7-17-14(22)24-9-8-16-12-19-11(15)20-13(21-12)18-10-23-2/h3-10H2,1-2H3,(H,17,22)(H2,16,18,19,20,21)
InChIKeyQSEUYLDOHWGQRX-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.26
Rot. Bonds12

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

2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate (PubChem CID 21434541) has the molecular formula C14H25ClN6O3 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate.

Molecular Properties

Compound Name2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate
PubChem CID21434541
Molecular FormulaC14H25ClN6O3
Molecular Weight360.85 g/mol
Exact Mass360.17
IUPAC Name2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCCNc1nc(Cl)nc(NCOC)n1
InChIInChI=1S/C14H25ClN6O3/c1-3-4-5-6-7-17-14(22)24-9-8-16-12-19-11(15)20-13(21-12)18-10-23-2/h3-10H2,1-2H3,(H,17,22)(H2,16,18,19,20,21)
InChIKeyQSEUYLDOHWGQRX-UHFFFAOYSA-N
XLogP2.26
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N,N-diethylcarbamate
CID 21434534
2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434550
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl N-methylcarbamate
CID 21434551
2-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
CID 21434556
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
CID 21434560
2-[[4-chloro-6-(3-methoxypropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434566
1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
CID 21434569

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate?
The IUPAC name of 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate (CID 21434541) is 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate.
What is the SMILES notation for 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate?
The canonical SMILES for 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate is CCCCCCNC(=O)OCCNc1nc(Cl)nc(NCOC)n1.
What is the InChIKey of 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate?
The InChIKey is QSEUYLDOHWGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN6O3/c1-3-4-5-6-7-17-14(22)24-9-8-16-12-19-11(15)20-13(21-12)18-10-23-2/h3-10H2,1-2H3,(H,17,22)(H2,16,18,19,20,21).
What are the key properties of 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate?
2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate has a molecular weight of 360.85 g/mol, XLogP of 2.26, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-hexylcarbamate is sourced from PubChem (CID 21434541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).