4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine

C5H6Cl2N4 — CID 16985

IUPAC4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H6Cl2N4/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3
InChIKeyITRGRVVBODKGCW-UHFFFAOYSA-N
MW193.04 g/mol
LogP1.24
Rot. Bonds1

About 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine

4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 16985) has the molecular formula C5H6Cl2N4 and a molecular weight of 193.04 g/mol. Its IUPAC name is 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID16985
Molecular FormulaC5H6Cl2N4
Molecular Weight193.04 g/mol
Exact Mass192.00
IUPAC Name4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H6Cl2N4/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3
InChIKeyITRGRVVBODKGCW-UHFFFAOYSA-N
XLogP1.24
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 16985) is 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is ITRGRVVBODKGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3.
What are the key properties of 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 193.04 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 16985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).