4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C31H33FN8O2 — CID 70810454

IUPAC4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(CF)nc4ccccc43)n2)ccn1
InChIInChI=1S/C31H33FN8O2/c1-31(2,19-22-8-4-5-9-23(22)21-12-13-33-27(18-21)41-3)38-28-35-29(39-14-16-42-17-15-39)37-30(36-28)40-25-11-7-6-10-24(25)34-26(40)20-32/h4-13,18H,14-17,19-20H2,1-3H3,(H,35,36,37,38)
InChIKeyUIYRQRANJQPFKR-UHFFFAOYSA-N
MW568.66 g/mol
LogP5.02
Rot. Bonds9

About 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 70810454) has the molecular formula C31H33FN8O2 and a molecular weight of 568.66 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID70810454
Molecular FormulaC31H33FN8O2
Molecular Weight568.66 g/mol
Exact Mass568.27
IUPAC Name4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(CF)nc4ccccc43)n2)ccn1
InChIInChI=1S/C31H33FN8O2/c1-31(2,19-22-8-4-5-9-23(22)21-12-13-33-27(18-21)41-3)38-28-35-29(39-14-16-42-17-15-39)37-30(36-28)40-25-11-7-6-10-24(25)34-26(40)20-32/h4-13,18H,14-17,19-20H2,1-3H3,(H,35,36,37,38)
InChIKeyUIYRQRANJQPFKR-UHFFFAOYSA-N
XLogP5.02
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.66
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 70810454) is 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is COc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(CF)nc4ccccc43)n2)ccn1.
What is the InChIKey of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is UIYRQRANJQPFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2/c1-31(2,19-22-8-4-5-9-23(22)21-12-13-33-27(18-21)41-3)38-28-35-29(39-14-16-42-17-15-39)37-30(36-28)40-25-11-7-6-10-24(25)34-26(40)20-32/h4-13,18H,14-17,19-20H2,1-3H3,(H,35,36,37,38).
What are the key properties of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 568.66 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70810454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).