6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C12H13Cl2N5O — CID 80874464

IUPAC6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cc(Cl)cc(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C12H13Cl2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-9-5-7(13)4-8(14)6-9/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyFOSPJEYENXOAPM-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.08
Rot. Bonds4

About 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80874464) has the molecular formula C12H13Cl2N5O and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80874464
Molecular FormulaC12H13Cl2N5O
Molecular Weight314.18 g/mol
Exact Mass313.05
IUPAC Name6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cc(Cl)cc(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C12H13Cl2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-9-5-7(13)4-8(14)6-9/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyFOSPJEYENXOAPM-UHFFFAOYSA-N
XLogP3.08
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80862387
2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine
CID 80865696
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385
6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866060
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
[4-(3,5-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80919855
4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 166297611
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
4-chloro-6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-1,3,5-triazin-2-amine
CID 80878499
6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80880335

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 80874464) is 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Oc2cc(Cl)cc(Cl)c2)nc(N(C)C)n1.
What is the InChIKey of 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FOSPJEYENXOAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-9-5-7(13)4-8(14)6-9/h4-6H,1-3H3,(H,15,16,17,18).
What are the key properties of 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 314.18 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80874464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).