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

C12H15FN6 — CID 80777252

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H15FN6/c1-19(2)12-17-10(14)16-11(18-12)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyHIJQPOITCVYHBH-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.27
Rot. Bonds4

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

4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80777252) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80777252
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H15FN6/c1-19(2)12-17-10(14)16-11(18-12)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyHIJQPOITCVYHBH-UHFFFAOYSA-N
XLogP1.27
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995
4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794517
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000
2-N-[(2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772989
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 158136349
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
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
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80777252) is 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCc2ccccc2F)n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HIJQPOITCVYHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c1-19(2)12-17-10(14)16-11(18-12)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 262.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80777252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).