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

C9H15ClN6O2 — CID 83113419

IUPAC3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
SMILESCOc1nc(Cl)nc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C9H15ClN6O2/c1-16(2)9(17)12-5-4-11-7-13-6(10)14-8(15-7)18-3/h4-5H2,1-3H3,(H,12,17)(H,11,13,14,15)
InChIKeyZTMIJLIHTCIQNU-UHFFFAOYSA-N
MW274.71 g/mol
LogP0.22
Rot. Bonds5

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

3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83113419) has the molecular formula C9H15ClN6O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
PubChem CID83113419
Molecular FormulaC9H15ClN6O2
Molecular Weight274.71 g/mol
Exact Mass274.09
IUPAC Name3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
SMILESCOc1nc(Cl)nc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C9H15ClN6O2/c1-16(2)9(17)12-5-4-11-7-13-6(10)14-8(15-7)18-3/h4-5H2,1-3H3,(H,12,17)(H,11,13,14,15)
InChIKeyZTMIJLIHTCIQNU-UHFFFAOYSA-N
XLogP0.22
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea with MolForge

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Related Compounds

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
CID 113430529
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
tert-butyl N-[2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 114518281
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
CID 62858479
4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 83113996
4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine
CID 106430118
3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea (CID 83113419) is 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea is COc1nc(Cl)nc(NCCNC(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is ZTMIJLIHTCIQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O2/c1-16(2)9(17)12-5-4-11-7-13-6(10)14-8(15-7)18-3/h4-5H2,1-3H3,(H,12,17)(H,11,13,14,15).
What are the key properties of 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 274.71 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83113419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).