6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H16ClN5O — CID 62865096

IUPAC6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOCCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-4-16-6-5-11-8-12-7(10)13-9(14-8)15(2)3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyHSKKHSYNBAKWLL-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.04
Rot. Bonds6

About 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62865096) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62865096
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOCCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-4-16-6-5-11-8-12-7(10)13-9(14-8)15(2)3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyHSKKHSYNBAKWLL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62865096) is 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCOCCNc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HSKKHSYNBAKWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-4-16-6-5-11-8-12-7(10)13-9(14-8)15(2)3/h4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 245.71 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62865096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).