4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine

C24H35FN6 — CID 134091443

IUPAC4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESFc1ccccc1CNc1nc(N2CCCCCCC2)nc(N2CCCCCCC2)n1
InChIInChI=1S/C24H35FN6/c25-21-14-8-7-13-20(21)19-26-22-27-23(30-15-9-3-1-4-10-16-30)29-24(28-22)31-17-11-5-2-6-12-18-31/h7-8,13-14H,1-6,9-12,15-19H2,(H,26,27,28,29)
InChIKeyWARZRZVGLICDMZ-UHFFFAOYSA-N
MW426.58 g/mol
LogP5.16
Rot. Bonds5

About 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine

4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 134091443) has the molecular formula C24H35FN6 and a molecular weight of 426.58 g/mol. Its IUPAC name is 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID134091443
Molecular FormulaC24H35FN6
Molecular Weight426.58 g/mol
Exact Mass426.29
IUPAC Name4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESFc1ccccc1CNc1nc(N2CCCCCCC2)nc(N2CCCCCCC2)n1
InChIInChI=1S/C24H35FN6/c25-21-14-8-7-13-20(21)19-26-22-27-23(30-15-9-3-1-4-10-16-30)29-24(28-22)31-17-11-5-2-6-12-18-31/h7-8,13-14H,1-6,9-12,15-19H2,(H,26,27,28,29)
InChIKeyWARZRZVGLICDMZ-UHFFFAOYSA-N
XLogP5.16
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-[(2-fluorophenyl)methyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 134107960
N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865899
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865535
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106
N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 71189285
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 94845097
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910002
N-[(2-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112949737

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine (CID 134091443) is 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine is Fc1ccccc1CNc1nc(N2CCCCCCC2)nc(N2CCCCCCC2)n1.
What is the InChIKey of 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is WARZRZVGLICDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN6/c25-21-14-8-7-13-20(21)19-26-22-27-23(30-15-9-3-1-4-10-16-30)29-24(28-22)31-17-11-5-2-6-12-18-31/h7-8,13-14H,1-6,9-12,15-19H2,(H,26,27,28,29).
What are the key properties of 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 426.58 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 134091443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).