2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine

C10H17ClN4O2 — CID 62868290

IUPAC2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
SMILESCCCOc1nc(Cl)nc(OCCN(C)C)n1
InChIInChI=1S/C10H17ClN4O2/c1-4-6-16-9-12-8(11)13-10(14-9)17-7-5-15(2)3/h4-7H2,1-3H3
InChIKeyTUPKVVSYLFGMGN-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.25
Rot. Bonds7

About 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine

2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine (PubChem CID 62868290) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
PubChem CID62868290
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
SMILESCCCOc1nc(Cl)nc(OCCN(C)C)n1
InChIInChI=1S/C10H17ClN4O2/c1-4-6-16-9-12-8(11)13-10(14-9)17-7-5-15(2)3/h4-7H2,1-3H3
InChIKeyTUPKVVSYLFGMGN-UHFFFAOYSA-N
XLogP1.25
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 55124601
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
CID 62865803
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871228
4-chloro-6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124099
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62863316

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine (CID 62868290) is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine is CCCOc1nc(Cl)nc(OCCN(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is TUPKVVSYLFGMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-4-6-16-9-12-8(11)13-10(14-9)17-7-5-15(2)3/h4-7H2,1-3H3.
What are the key properties of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine?
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 260.72 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 62868290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).