4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C12H15FN6 — CID 80851450

IUPAC4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(F)cc(Nc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C12H15FN6/c1-7-4-8(13)6-9(5-7)15-11-16-10(14)17-12(18-11)19(2)3/h4-6H,1-3H3,(H3,14,15,16,17,18)
InChIKeyNXKFNTHAQLVLAT-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.71
Rot. Bonds3

About 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80851450) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80851450
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(F)cc(Nc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C12H15FN6/c1-7-4-8(13)6-9(5-7)15-11-16-10(14)17-12(18-11)19(2)3/h4-6H,1-3H3,(H3,14,15,16,17,18)
InChIKeyNXKFNTHAQLVLAT-UHFFFAOYSA-N
XLogP1.71
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107371206
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
5-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80827082
4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 107531890
2-N,2-N-dimethyl-4-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80768872
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
CID 90254949
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107576918
2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80928492
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80851450) is 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is Cc1cc(F)cc(Nc2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NXKFNTHAQLVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c1-7-4-8(13)6-9(5-7)15-11-16-10(14)17-12(18-11)19(2)3/h4-6H,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 262.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80851450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).