4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine

C5H4Cl2F2N4O — CID 19006216

IUPAC4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H4Cl2F2N4O/c1-10-3-11-2(6)12-4(13-3)14-5(7,8)9/h1H3,(H,10,11,12,13)
InChIKeyDOKKTOMMQSJXNU-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.73
Rot. Bonds3

About 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine (PubChem CID 19006216) has the molecular formula C5H4Cl2F2N4O and a molecular weight of 245.02 g/mol. Its IUPAC name is 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine
PubChem CID19006216
Molecular FormulaC5H4Cl2F2N4O
Molecular Weight245.02 g/mol
Exact Mass243.97
IUPAC Name4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H4Cl2F2N4O/c1-10-3-11-2(6)12-4(13-3)14-5(7,8)9/h1H3,(H,10,11,12,13)
InChIKeyDOKKTOMMQSJXNU-UHFFFAOYSA-N
XLogP1.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 15010389
4-Fluoro-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 15010390
4-[chloro(difluoro)methoxy]-6-fluoro-N-methyl-1,3,5-triazin-2-amine
CID 15010391
6-[chloro(difluoro)methoxy]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 15010392
4-[Chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
CID 15010394
2-Amino-4-methylamino-6-trifluoromethoxy-1,3,5-triazine
CID 15010397
6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 15010398
2-Amino-4-dimethylamino-6-trifluoromethoxy-1,3,5-triazine
CID 15010399
6-[chloro(difluoro)methoxy]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 15010400
N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006221
4-chloro-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006228
6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 19777637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine (CID 19006216) is 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is DOKKTOMMQSJXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2F2N4O/c1-10-3-11-2(6)12-4(13-3)14-5(7,8)9/h1H3,(H,10,11,12,13).
What are the key properties of 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 245.02 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).