6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C9H15Cl2N5 — CID 27378828

IUPAC6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCCl)n1
InChIInChI=1S/C9H15Cl2N5/c1-3-16(4-2)9-14-7(11)13-8(15-9)12-6-5-10/h3-6H2,1-2H3,(H,12,13,14,15)
InChIKeySPMCIXHAAYXXLD-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.02
Rot. Bonds6

About 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 27378828) has the molecular formula C9H15Cl2N5 and a molecular weight of 264.16 g/mol. Its IUPAC name is 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID27378828
Molecular FormulaC9H15Cl2N5
Molecular Weight264.16 g/mol
Exact Mass263.07
IUPAC Name6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCCl)n1
InChIInChI=1S/C9H15Cl2N5/c1-3-16(4-2)9-14-7(11)13-8(15-9)12-6-5-10/h3-6H2,1-2H3,(H,12,13,14,15)
InChIKeySPMCIXHAAYXXLD-UHFFFAOYSA-N
XLogP2.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 27378828) is 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCCCl)n1.
What is the InChIKey of 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SPMCIXHAAYXXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N5/c1-3-16(4-2)9-14-7(11)13-8(15-9)12-6-5-10/h3-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 264.16 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 27378828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).