N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride

C6H7Cl2N5O — CID 54266606

IUPACN-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
SMILESCNc1nc(Cl)nc(N(C)C(=O)Cl)n1
InChIInChI=1S/C6H7Cl2N5O/c1-9-5-10-3(7)11-6(12-5)13(2)4(8)14/h1-2H3,(H,9,10,11,12)
InChIKeyRHEMUGYEPMQEHP-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.36
Rot. Bonds2

About N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride

N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride (PubChem CID 54266606) has the molecular formula C6H7Cl2N5O and a molecular weight of 236.06 g/mol. Its IUPAC name is N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
PubChem CID54266606
Molecular FormulaC6H7Cl2N5O
Molecular Weight236.06 g/mol
Exact Mass235.00
IUPAC NameN-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
SMILESCNc1nc(Cl)nc(N(C)C(=O)Cl)n1
InChIInChI=1S/C6H7Cl2N5O/c1-9-5-10-3(7)11-6(12-5)13(2)4(8)14/h1-2H3,(H,9,10,11,12)
InChIKeyRHEMUGYEPMQEHP-UHFFFAOYSA-N
XLogP1.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride (CID 54266606) is N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride is CNc1nc(Cl)nc(N(C)C(=O)Cl)n1.
What is the InChIKey of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride?
The InChIKey is RHEMUGYEPMQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N5O/c1-9-5-10-3(7)11-6(12-5)13(2)4(8)14/h1-2H3,(H,9,10,11,12).
What are the key properties of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride?
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride has a molecular weight of 236.06 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 54266606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).