6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C19H21FN6 — CID 4793369

IUPAC6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C19H21FN6/c1-13-6-3-4-9-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-7-5-8-15(20)10-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyHWWWQPWRBGCSRZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.28
Rot. Bonds6

About 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 4793369) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID4793369
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C19H21FN6/c1-13-6-3-4-9-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-7-5-8-15(20)10-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyHWWWQPWRBGCSRZ-UHFFFAOYSA-N
XLogP3.28
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8001525
6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2608348
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-fluorobenzoate
CID 2523878
6-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 55542551
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7669879
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 17489842
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
CID 2455288
2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 4781340
6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2522976
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 4793369) is 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccc(F)c2)n1.
What is the InChIKey of 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HWWWQPWRBGCSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c1-13-6-3-4-9-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-7-5-8-15(20)10-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 352.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4793369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).