6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine

C15H28ClN5O4 — CID 139744613

IUPAC6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCN(COCC)c1nc(Cl)nc(N(COCC)COCC)n1
InChIInChI=1S/C15H28ClN5O4/c1-5-22-9-20(10-23-6-2)14-17-13(16)18-15(19-14)21(11-24-7-3)12-25-8-4/h5-12H2,1-4H3
InChIKeySPSOCYMNZPJVEA-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.11
Rot. Bonds14

About 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 139744613) has the molecular formula C15H28ClN5O4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID139744613
Molecular FormulaC15H28ClN5O4
Molecular Weight377.87 g/mol
Exact Mass377.18
IUPAC Name6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCN(COCC)c1nc(Cl)nc(N(COCC)COCC)n1
InChIInChI=1S/C15H28ClN5O4/c1-5-22-9-20(10-23-6-2)14-17-13(16)18-15(19-14)21(11-24-7-3)12-25-8-4/h5-12H2,1-4H3
InChIKeySPSOCYMNZPJVEA-UHFFFAOYSA-N
XLogP2.11
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine (CID 139744613) is 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine is CCOCN(COCC)c1nc(Cl)nc(N(COCC)COCC)n1.
What is the InChIKey of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SPSOCYMNZPJVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5O4/c1-5-22-9-20(10-23-6-2)14-17-13(16)18-15(19-14)21(11-24-7-3)12-25-8-4/h5-12H2,1-4H3.
What are the key properties of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 377.87 g/mol, XLogP of 2.11, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139744613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).