4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine

C9H16ClN5O — CID 80871608

IUPAC4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCCN(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-4-11-8-12-7(10)13-9(14-8)16-6-5-15(2)3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyHGKUNVLBJFEVBT-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.90
Rot. Bonds6

About 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine

4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80871608) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80871608
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCCN(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-4-11-8-12-7(10)13-9(14-8)16-6-5-15(2)3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyHGKUNVLBJFEVBT-UHFFFAOYSA-N
XLogP0.90
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871228
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80871890
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80879166
4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine
CID 80873827
4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80867584
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine (CID 80871608) is 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(OCCN(C)C)n1.
What is the InChIKey of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is HGKUNVLBJFEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-4-11-8-12-7(10)13-9(14-8)16-6-5-15(2)3/h4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 245.71 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).