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

C12H14F2N6 — CID 80845995

IUPAC4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C12H14F2N6/c1-20(2)12-18-10(15)17-11(19-12)16-6-7-5-8(13)3-4-9(7)14/h3-5H,6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyJBDBEJOWZSIKOU-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.41
Rot. Bonds4

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

4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80845995) has the molecular formula C12H14F2N6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80845995
Molecular FormulaC12H14F2N6
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C12H14F2N6/c1-20(2)12-18-10(15)17-11(19-12)16-6-7-5-8(13)3-4-9(7)14/h3-5H,6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyJBDBEJOWZSIKOU-UHFFFAOYSA-N
XLogP1.41
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80777252
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794517
4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 107531890
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)pyrimidin-4-yl]acetamide
CID 71869180
4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80851450
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38934992

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80845995) is 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCc2cc(F)ccc2F)n1.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JBDBEJOWZSIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N6/c1-20(2)12-18-10(15)17-11(19-12)16-6-7-5-8(13)3-4-9(7)14/h3-5H,6H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 280.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80845995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).