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

C9H14ClN5O3 — CID 83204945

IUPAC2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
SMILESCCCOc1nc(Cl)nc(NCCOC(N)=O)n1
InChIInChI=1S/C9H14ClN5O3/c1-2-4-18-9-14-6(10)13-8(15-9)12-3-5-17-7(11)16/h2-5H2,1H3,(H2,11,16)(H,12,13,14,15)
InChIKeyKAVBDDMKKLWOCQ-UHFFFAOYSA-N
MW275.70 g/mol
LogP0.82
Rot. Bonds7

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

2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate (PubChem CID 83204945) has the molecular formula C9H14ClN5O3 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
PubChem CID83204945
Molecular FormulaC9H14ClN5O3
Molecular Weight275.70 g/mol
Exact Mass275.08
IUPAC Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
SMILESCCCOc1nc(Cl)nc(NCCOC(N)=O)n1
InChIInChI=1S/C9H14ClN5O3/c1-2-4-18-9-14-6(10)13-8(15-9)12-3-5-17-7(11)16/h2-5H2,1H3,(H2,11,16)(H,12,13,14,15)
InChIKeyKAVBDDMKKLWOCQ-UHFFFAOYSA-N
XLogP0.82
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 62862604
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-pent-4-ynyl-6-propoxy-1,3,5-triazin-2-amine
CID 106223061
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106195557
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate (CID 83204945) is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate is CCCOc1nc(Cl)nc(NCCOC(N)=O)n1.
What is the InChIKey of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The InChIKey is KAVBDDMKKLWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O3/c1-2-4-18-9-14-6(10)13-8(15-9)12-3-5-17-7(11)16/h2-5H2,1H3,(H2,11,16)(H,12,13,14,15).
What are the key properties of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate?
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate has a molecular weight of 275.70 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 83204945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).