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

C10H18ClN5O2 — CID 611227

IUPAC6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NOC)nc(OCCCl)n1
InChIInChI=1S/C10H18ClN5O2/c1-4-16(5-2)9-12-8(15-17-3)13-10(14-9)18-7-6-11/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyIBGYBDPIOIGOJV-UHFFFAOYSA-N
MW275.74 g/mol
LogP1.31
Rot. Bonds8

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

6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 611227) has the molecular formula C10H18ClN5O2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID611227
Molecular FormulaC10H18ClN5O2
Molecular Weight275.74 g/mol
Exact Mass275.11
IUPAC Name6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NOC)nc(OCCCl)n1
InChIInChI=1S/C10H18ClN5O2/c1-4-16(5-2)9-12-8(15-17-3)13-10(14-9)18-7-6-11/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyIBGYBDPIOIGOJV-UHFFFAOYSA-N
XLogP1.31
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.31
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)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine (CID 611227) is 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NOC)nc(OCCCl)n1.
What is the InChIKey of 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is IBGYBDPIOIGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O2/c1-4-16(5-2)9-12-8(15-17-3)13-10(14-9)18-7-6-11/h4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine?
6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 275.74 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 611227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).