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

C24H27FN6 — CID 134107960

IUPAC2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-[(2-fluorophenyl)methyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESFc1ccccc1CNc1nc(NC2Cc3ccccc3C2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H27FN6/c25-21-11-5-4-10-19(21)16-26-22-28-23(30-24(29-22)31-12-6-1-7-13-31)27-20-14-17-8-2-3-9-18(17)15-20/h2-5,8-11,20H,1,6-7,12-16H2,(H2,26,27,28,29,30)
InChIKeyKERXPQHYUOIPNL-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.19
Rot. Bonds6

About 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

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 (PubChem CID 134107960) has the molecular formula C24H27FN6 and a molecular weight of 418.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-[(2-fluorophenyl)methyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID134107960
Molecular FormulaC24H27FN6
Molecular Weight418.52 g/mol
Exact Mass418.23
IUPAC Name2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-[(2-fluorophenyl)methyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESFc1ccccc1CNc1nc(NC2Cc3ccccc3C2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H27FN6/c25-21-11-5-4-10-19(21)16-26-22-28-23(30-24(29-22)31-12-6-1-7-13-31)27-20-14-17-8-2-3-9-18(17)15-20/h2-5,8-11,20H,1,6-7,12-16H2,(H2,26,27,28,29,30)
InChIKeyKERXPQHYUOIPNL-UHFFFAOYSA-N
XLogP4.19
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
CID 134091443
4-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10568388
N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10780218
4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 134088618
N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865899
N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 71189285
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865535
3-N-cycloheptyl-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949581
N-[2-[2-[2-[[4-[(2-fluorophenyl)methylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23984555
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccccc1CNc1nc(NC2Cc3ccccc3C2)nc(N2CCCCC2)n1.
What is the InChIKey of 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?
The InChIKey is KERXPQHYUOIPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6/c25-21-11-5-4-10-19(21)16-26-22-28-23(30-24(29-22)31-12-6-1-7-13-31)27-20-14-17-8-2-3-9-18(17)15-20/h2-5,8-11,20H,1,6-7,12-16H2,(H2,26,27,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 418.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134107960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).