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

C7H10ClF2N5O — CID 19777637

IUPAC6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(F)(F)Cl)nc(N(C)C)n1
InChIInChI=1S/C7H10ClF2N5O/c1-11-4-12-5(15(2)3)14-6(13-4)16-7(8,9)10/h1-3H3,(H,11,12,13,14)
InChIKeyUJPRASWTPGJXGW-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.15
Rot. Bonds4

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

6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 19777637) has the molecular formula C7H10ClF2N5O and a molecular weight of 253.64 g/mol. Its IUPAC name is 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID19777637
Molecular FormulaC7H10ClF2N5O
Molecular Weight253.64 g/mol
Exact Mass253.05
IUPAC Name6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(F)(F)Cl)nc(N(C)C)n1
InChIInChI=1S/C7H10ClF2N5O/c1-11-4-12-5(15(2)3)14-6(13-4)16-7(8,9)10/h1-3H3,(H,11,12,13,14)
InChIKeyUJPRASWTPGJXGW-UHFFFAOYSA-N
XLogP1.15
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.15
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

6-methoxy-N,N,N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 2189417
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-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
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,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 19777637) is 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(OC(F)(F)Cl)nc(N(C)C)n1.
What is the InChIKey of 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UJPRASWTPGJXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N5O/c1-11-4-12-5(15(2)3)14-6(13-4)16-7(8,9)10/h1-3H3,(H,11,12,13,14).
What are the key properties of 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.64 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19777637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).