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

C17H23FN6 — CID 78820252

IUPAC6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1nc(N)nc(Nc2ccc(F)cc2)n1)C1CCCCC1
InChIInChI=1S/C17H23FN6/c1-24(14-5-3-2-4-6-14)11-15-21-16(19)23-17(22-15)20-13-9-7-12(18)8-10-13/h7-10,14H,2-6,11H2,1H3,(H3,19,20,21,22,23)
InChIKeyCWORUMFPIFVNCH-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.10
Rot. Bonds5

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

6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 78820252) has the molecular formula C17H23FN6 and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID78820252
Molecular FormulaC17H23FN6
Molecular Weight330.41 g/mol
Exact Mass330.20
IUPAC Name6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1nc(N)nc(Nc2ccc(F)cc2)n1)C1CCCCC1
InChIInChI=1S/C17H23FN6/c1-24(14-5-3-2-4-6-14)11-15-21-16(19)23-17(22-15)20-13-9-7-12(18)8-10-13/h7-10,14H,2-6,11H2,1H3,(H3,19,20,21,22,23)
InChIKeyCWORUMFPIFVNCH-UHFFFAOYSA-N
XLogP3.10
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 78820252) is 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is CN(Cc1nc(N)nc(Nc2ccc(F)cc2)n1)C1CCCCC1.
What is the InChIKey of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CWORUMFPIFVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6/c1-24(14-5-3-2-4-6-14)11-15-21-16(19)23-17(22-15)20-13-9-7-12(18)8-10-13/h7-10,14H,2-6,11H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 330.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 78820252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).