2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C8H13Cl2N5 — CID 82950213

IUPAC2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H13Cl2N5/c1-5(4-15(2)3)11-8-13-6(9)12-7(10)14-8/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyJPZKWBNSZBCICE-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.54
Rot. Bonds4

About 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82950213) has the molecular formula C8H13Cl2N5 and a molecular weight of 250.13 g/mol. Its IUPAC name is 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82950213
Molecular FormulaC8H13Cl2N5
Molecular Weight250.13 g/mol
Exact Mass249.05
IUPAC Name2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H13Cl2N5/c1-5(4-15(2)3)11-8-13-6(9)12-7(10)14-8/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyJPZKWBNSZBCICE-UHFFFAOYSA-N
XLogP1.54
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82950213) is 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is JPZKWBNSZBCICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2N5/c1-5(4-15(2)3)11-8-13-6(9)12-7(10)14-8/h5H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 250.13 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).