6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C19H21FN6O — CID 17489842

IUPAC6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3)n2)cc1F
InChIInChI=1S/C19H21FN6O/c1-26(11-13-8-9-16(27-2)15(20)10-13)12-17-23-18(21)25-19(24-17)22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyZQZPOUUAZQKOEL-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.98
Rot. Bonds7

About 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 17489842) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID17489842
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3)n2)cc1F
InChIInChI=1S/C19H21FN6O/c1-26(11-13-8-9-16(27-2)15(20)10-13)12-17-23-18(21)25-19(24-17)22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyZQZPOUUAZQKOEL-UHFFFAOYSA-N
XLogP2.98
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 26300352
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8845028
6-[1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18124512
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78818933
6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4793369
3-[[4-amino-6-[[benzyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]benzonitrile;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 157122704
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903
6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 35041524
6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 142394027

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 17489842) is 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is COc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3)n2)cc1F.
What is the InChIKey of 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQZPOUUAZQKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-26(11-13-8-9-16(27-2)15(20)10-13)12-17-23-18(21)25-19(24-17)22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 368.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17489842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).