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

C12H13Cl2N5O — CID 80862387

IUPAC6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cc(Cl)ccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13Cl2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyVTTTUJJCQIRGJM-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.08
Rot. Bonds4

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

6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80862387) has the molecular formula C12H13Cl2N5O and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80862387
Molecular FormulaC12H13Cl2N5O
Molecular Weight314.18 g/mol
Exact Mass313.05
IUPAC Name6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cc(Cl)ccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13Cl2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyVTTTUJJCQIRGJM-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-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80874464
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385
6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80880335
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870491
4-chloro-6-(4-chloro-2-methylphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80869238
2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
4-(2,3-dichlorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916635
6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880404
2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine
CID 80865696

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 80862387) is 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Oc2cc(Cl)ccc2Cl)nc(N(C)C)n1.
What is the InChIKey of 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VTTTUJJCQIRGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,15,16,17,18).
What are the key properties of 6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-(2,5-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-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80862387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).