6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C8H14ClN5O2 — CID 611055

IUPAC6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCONc1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C8H14ClN5O2/c1-14(2)7-10-6(13-15-3)11-8(12-7)16-5-4-9/h4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyYJGVJWZRQZNXAI-UHFFFAOYSA-N
MW247.69 g/mol
LogP0.53
Rot. Bonds6

About 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 611055) has the molecular formula C8H14ClN5O2 and a molecular weight of 247.69 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID611055
Molecular FormulaC8H14ClN5O2
Molecular Weight247.69 g/mol
Exact Mass247.08
IUPAC Name6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCONc1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C8H14ClN5O2/c1-14(2)7-10-6(13-15-3)11-8(12-7)16-5-4-9/h4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyYJGVJWZRQZNXAI-UHFFFAOYSA-N
XLogP0.53
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 611055) is 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CONc1nc(OCCCl)nc(N(C)C)n1.
What is the InChIKey of 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YJGVJWZRQZNXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O2/c1-14(2)7-10-6(13-15-3)11-8(12-7)16-5-4-9/h4-5H2,1-3H3,(H,10,11,12,13).
What are the key properties of 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 247.69 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-4-N-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 611055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).