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

C8H12Cl2N4 — CID 60726765

IUPACN-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H12Cl2N4/c1-3-4-5-14(2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3
InChIKeyHPSGZJWFRUQMOO-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.41
Rot. Bonds4

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

N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine (PubChem CID 60726765) has the molecular formula C8H12Cl2N4 and a molecular weight of 235.12 g/mol. Its IUPAC name is N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
PubChem CID60726765
Molecular FormulaC8H12Cl2N4
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC NameN-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H12Cl2N4/c1-3-4-5-14(2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3
InChIKeyHPSGZJWFRUQMOO-UHFFFAOYSA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine (CID 60726765) is N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine is CCCCN(C)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is HPSGZJWFRUQMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N4/c1-3-4-5-14(2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3.
What are the key properties of N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine?
N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 235.12 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 60726765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).