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

C13H17FN6 — CID 80794162

IUPAC2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C13H17FN6/c1-19(2)12-16-11(15)17-13(18-12)20(3)8-9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUZOMKSCZYCCDMS-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.30
Rot. Bonds4

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

2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80794162) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80794162
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C13H17FN6/c1-19(2)12-16-11(15)17-13(18-12)20(3)8-9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUZOMKSCZYCCDMS-UHFFFAOYSA-N
XLogP1.30
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
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CID 80777252
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
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CID 80764929
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CID 104623147
5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 107080917
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
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2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 113387633
2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80782080
5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184048
2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987779

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80794162) is 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N(C)Cc2ccccc2F)n1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UZOMKSCZYCCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-19(2)12-16-11(15)17-13(18-12)20(3)8-9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 276.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80794162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).