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

C6H7ClF2N4O2 — CID 19777642

IUPAC4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C6H7ClF2N4O2/c1-10-3-11-4(14-2)13-5(12-3)15-6(7,8)9/h1-2H3,(H,10,11,12,13)
InChIKeyDCZVKGNHSGULHC-UHFFFAOYSA-N
MW240.60 g/mol
LogP1.09
Rot. Bonds4

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

4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 19777642) has the molecular formula C6H7ClF2N4O2 and a molecular weight of 240.60 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID19777642
Molecular FormulaC6H7ClF2N4O2
Molecular Weight240.60 g/mol
Exact Mass240.02
IUPAC Name4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C6H7ClF2N4O2/c1-10-3-11-4(14-2)13-5(12-3)15-6(7,8)9/h1-2H3,(H,10,11,12,13)
InChIKeyDCZVKGNHSGULHC-UHFFFAOYSA-N
XLogP1.09
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.60
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-Amino-4-methoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010393
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
6-[chloro(difluoro)methoxy]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 15010400
4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 19006216
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

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 19777642) is 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is DCZVKGNHSGULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N4O2/c1-10-3-11-4(14-2)13-5(12-3)15-6(7,8)9/h1-2H3,(H,10,11,12,13).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 240.60 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19777642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).