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

C5H6ClF2N5O — CID 15010398

IUPAC6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H6ClF2N5O/c1-10-3-11-2(9)12-4(13-3)14-5(6,7)8/h1H3,(H3,9,10,11,12,13)
InChIKeySUAHHNVXQUTHHR-UHFFFAOYSA-N
MW225.59 g/mol
LogP0.66
Rot. Bonds3

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

6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 15010398) has the molecular formula C5H6ClF2N5O and a molecular weight of 225.59 g/mol. Its IUPAC name is 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID15010398
Molecular FormulaC5H6ClF2N5O
Molecular Weight225.59 g/mol
Exact Mass225.02
IUPAC Name6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H6ClF2N5O/c1-10-3-11-2(9)12-4(13-3)14-5(6,7)8/h1H3,(H3,9,10,11,12,13)
InChIKeySUAHHNVXQUTHHR-UHFFFAOYSA-N
XLogP0.66
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.59
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[Chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
CID 10867578
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
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
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 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 15010398) is 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(N)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SUAHHNVXQUTHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF2N5O/c1-10-3-11-2(9)12-4(13-3)14-5(6,7)8/h1H3,(H3,9,10,11,12,13).
What are the key properties of 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 225.59 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15010398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).