4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine

C30H31F2N5 — CID 118857251

IUPAC4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1-c1nc(-c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C30H31F2N5/c1-18-15-24(20-13-14-22-23(16-20)29(4,5)30(31,32)28(22,2)3)33-17-21(18)26-34-25(19-11-9-8-10-12-19)35-27(36-26)37(6)7/h8-17H,1-7H3
InChIKeyJZGZUEIHUHJAJR-UHFFFAOYSA-N
MW499.61 g/mol
LogP6.85
Rot. Bonds4

About 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine

4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 118857251) has the molecular formula C30H31F2N5 and a molecular weight of 499.61 g/mol. Its IUPAC name is 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine
PubChem CID118857251
Molecular FormulaC30H31F2N5
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC Name4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1-c1nc(-c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C30H31F2N5/c1-18-15-24(20-13-14-22-23(16-20)29(4,5)30(31,32)28(22,2)3)33-17-21(18)26-34-25(19-11-9-8-10-12-19)35-27(36-26)37(6)7/h8-17H,1-7H3
InChIKeyJZGZUEIHUHJAJR-UHFFFAOYSA-N
XLogP6.85
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine (CID 118857251) is 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine is Cc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1-c1nc(-c2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is JZGZUEIHUHJAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N5/c1-18-15-24(20-13-14-22-23(16-20)29(4,5)30(31,32)28(22,2)3)33-17-21(18)26-34-25(19-11-9-8-10-12-19)35-27(36-26)37(6)7/h8-17H,1-7H3.
What are the key properties of 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 499.61 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 118857251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).