2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine

C25H32FN7 — CID 57403567

IUPAC2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C25H32FN7/c1-16-13-17(2)22(18(3)14-16)29-25-31-23(27-4)30-24(32-25)28-21-9-11-33(12-10-21)15-19-5-7-20(26)8-6-19/h5-8,13-14,21H,9-12,15H2,1-4H3,(H3,27,28,29,30,31,32)
InChIKeyAOQLIYZUDGCISK-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.80
Rot. Bonds7

About 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57403567) has the molecular formula C25H32FN7 and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID57403567
Molecular FormulaC25H32FN7
Molecular Weight449.58 g/mol
Exact Mass449.27
IUPAC Name2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C25H32FN7/c1-16-13-17(2)22(18(3)14-16)29-25-31-23(27-4)30-24(32-25)28-21-9-11-33(12-10-21)15-19-5-7-20(26)8-6-19/h5-8,13-14,21H,9-12,15H2,1-4H3,(H3,27,28,29,30,31,32)
InChIKeyAOQLIYZUDGCISK-UHFFFAOYSA-N
XLogP4.80
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 57403567) is 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AOQLIYZUDGCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7/c1-16-13-17(2)22(18(3)14-16)29-25-31-23(27-4)30-24(32-25)28-21-9-11-33(12-10-21)15-19-5-7-20(26)8-6-19/h5-8,13-14,21H,9-12,15H2,1-4H3,(H3,27,28,29,30,31,32).
What are the key properties of 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 449.58 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-N-methyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57403567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).