6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H13F2N5O — CID 38934992

IUPAC6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C12H13F2N5O/c1-19(2)12-17-10(16-11(15)18-12)6-20-9-4-3-7(13)5-8(9)14/h3-5H,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyXAGJXKXKKAAUBQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.38
Rot. Bonds4

About 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 38934992) has the molecular formula C12H13F2N5O and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID38934992
Molecular FormulaC12H13F2N5O
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C12H13F2N5O/c1-19(2)12-17-10(16-11(15)18-12)6-20-9-4-3-7(13)5-8(9)14/h3-5H,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyXAGJXKXKKAAUBQ-UHFFFAOYSA-N
XLogP1.38
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-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

4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde
CID 30834017
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-fluoro-2-methylbenzoate
CID 37237945
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile
CID 91643412
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 17412417
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 30778605

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 38934992) is 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(COc2ccc(F)cc2F)n1.
What is the InChIKey of 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XAGJXKXKKAAUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O/c1-19(2)12-17-10(16-11(15)18-12)6-20-9-4-3-7(13)5-8(9)14/h3-5H,6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 38934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).