5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine

C25H23F3N6 — CID 66774748

IUPAC5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1
InChIInChI=1S/C25H23F3N6/c1-15(2)24(3,19-7-4-16(5-8-19)18-13-31-23(29)32-14-18)21-10-6-17(12-30-21)20-9-11-22(34-33-20)25(26,27)28/h4-15H,1-3H3,(H2,29,31,32)
InChIKeyDUXNHCQFMCBDJS-UHFFFAOYSA-N
MW464.50 g/mol
LogP5.56
Rot. Bonds5

About 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine

5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 66774748) has the molecular formula C25H23F3N6 and a molecular weight of 464.50 g/mol. Its IUPAC name is 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine
PubChem CID66774748
Molecular FormulaC25H23F3N6
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1
InChIInChI=1S/C25H23F3N6/c1-15(2)24(3,19-7-4-16(5-8-19)18-13-31-23(29)32-14-18)21-10-6-17(12-30-21)20-9-11-22(34-33-20)25(26,27)28/h4-15H,1-3H3,(H2,29,31,32)
InChIKeyDUXNHCQFMCBDJS-UHFFFAOYSA-N
XLogP5.56
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

Azd-3839
CID 46202416
Decoglurant
CID 71533696
Tt-301
CID 54576073
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
Pik-iii
CID 67983123
N-(4-propan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539364
Pyrazolo[1,5-b]pyridazine deriv. 23
CID 6539365
Pyrazolo[1,5-b]pyridazine deriv. 24
CID 6539366
Pyrazolo[1,5-b]pyridazine deriv. 58
CID 6539400
Pyrazolo[1,5-b]pyridazine deriv. 59
CID 6539401
Pyrazolo[1,5-b]pyridazine deriv. 60
CID 6539402
Pyrazolo[1,5-b]pyridazine deriv. 65
CID 6539407

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine (CID 66774748) is 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1.
What is the InChIKey of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine?
The InChIKey is DUXNHCQFMCBDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6/c1-15(2)24(3,19-7-4-16(5-8-19)18-13-31-23(29)32-14-18)21-10-6-17(12-30-21)20-9-11-22(34-33-20)25(26,27)28/h4-15H,1-3H3,(H2,29,31,32).
What are the key properties of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine?
5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 464.50 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 66774748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).