6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C25H30FN7 — CID 56628845

IUPAC6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(N(C)c3ccc(F)c4ccccc34)CC2)n1
InChIInChI=1S/C25H30FN7/c1-4-14-27-23-29-24(28-15-5-2)31-25(30-23)33-16-12-18(13-17-33)32(3)22-11-10-21(26)19-8-6-7-9-20(19)22/h4-11,18H,1-2,12-17H2,3H3,(H2,27,28,29,30,31)
InChIKeyLKHYAPLFNUDAHD-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.46
Rot. Bonds9

About 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56628845) has the molecular formula C25H30FN7 and a molecular weight of 447.56 g/mol. Its IUPAC name is 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID56628845
Molecular FormulaC25H30FN7
Molecular Weight447.56 g/mol
Exact Mass447.25
IUPAC Name6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(N(C)c3ccc(F)c4ccccc34)CC2)n1
InChIInChI=1S/C25H30FN7/c1-4-14-27-23-29-24(28-15-5-2)31-25(30-23)33-16-12-18(13-17-33)32(3)22-11-10-21(26)19-8-6-7-9-20(19)22/h4-11,18H,1-2,12-17H2,3H3,(H2,27,28,29,30,31)
InChIKeyLKHYAPLFNUDAHD-UHFFFAOYSA-N
XLogP4.46
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,6-Dichloro-N-1-naphthalenyl-1,3,5-triazin-2-amine
CID 35300
1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid naphthalen-1-ylamide
CID 655932
(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1119752
6-[(3,5-dimethyl-1-piperidinyl)methyl]-N-2-naphthyl-1,3,5-triazine-2,4-diamine
CID 2948439
N2-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-6-methoxy-N4-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 57391370
N2-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-N6-methyl-N4-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 57403567
N2-(1-benzyl-4-piperidyl)-N4-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 70681744
2-N-(3,4-dimethylphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
CID 168298077
Fpmint
CID 17168340
6-piperazin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 158742025
6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 160994562
6-(4-aminopiperidin-1-yl)-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 161692830

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 56628845) is 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCC(N(C)c3ccc(F)c4ccccc34)CC2)n1.
What is the InChIKey of 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LKHYAPLFNUDAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7/c1-4-14-27-23-29-24(28-15-5-2)31-25(30-23)33-16-12-18(13-17-33)32(3)22-11-10-21(26)19-8-6-7-9-20(19)22/h4-11,18H,1-2,12-17H2,3H3,(H2,27,28,29,30,31).
What are the key properties of 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 447.56 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56628845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).