6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine

C8H14ClN5O — CID 12584289

IUPAC6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NOC)n1
InChIInChI=1S/C8H14ClN5O/c1-4-14(5-2)8-11-6(9)10-7(12-8)13-15-3/h4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyNHHYVGIPLOFBPI-UHFFFAOYSA-N
MW231.69 g/mol
LogP1.34
Rot. Bonds5

About 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 12584289) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID12584289
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NOC)n1
InChIInChI=1S/C8H14ClN5O/c1-4-14(5-2)8-11-6(9)10-7(12-8)13-15-3/h4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyNHHYVGIPLOFBPI-UHFFFAOYSA-N
XLogP1.34
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine (CID 12584289) is 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NOC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NHHYVGIPLOFBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O/c1-4-14(5-2)8-11-6(9)10-7(12-8)13-15-3/h4-5H2,1-3H3,(H,10,11,12,13).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 231.69 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12584289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).