2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide

C27H24F3N5O2 — CID 153393487

IUPAC2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1)c1ccccc1
InChIInChI=1S/C27H24F3N5O2/c1-3-35(20-7-5-4-6-8-20)22(36)15-37-26-23(18-13-16(2)32-21(14-18)25(29)30)24(33-27(31)34-26)17-9-11-19(28)12-10-17/h4-14,25H,3,15H2,1-2H3,(H2,31,33,34)
InChIKeyPHBAJAZNWXTTKP-UHFFFAOYSA-N
MW507.52 g/mol
LogP5.60
Rot. Bonds8

About 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide

2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide (PubChem CID 153393487) has the molecular formula C27H24F3N5O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide
PubChem CID153393487
Molecular FormulaC27H24F3N5O2
Molecular Weight507.52 g/mol
Exact Mass507.19
IUPAC Name2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1)c1ccccc1
InChIInChI=1S/C27H24F3N5O2/c1-3-35(20-7-5-4-6-8-20)22(36)15-37-26-23(18-13-16(2)32-21(14-18)25(29)30)24(33-27(31)34-26)17-9-11-19(28)12-10-17/h4-14,25H,3,15H2,1-2H3,(H2,31,33,34)
InChIKeyPHBAJAZNWXTTKP-UHFFFAOYSA-N
XLogP5.60
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide (CID 153393487) is 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide is CCN(C(=O)COc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1)c1ccccc1.
What is the InChIKey of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide?
The InChIKey is PHBAJAZNWXTTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2/c1-3-35(20-7-5-4-6-8-20)22(36)15-37-26-23(18-13-16(2)32-21(14-18)25(29)30)24(33-27(31)34-26)17-9-11-19(28)12-10-17/h4-14,25H,3,15H2,1-2H3,(H2,31,33,34).
What are the key properties of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide?
2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide has a molecular weight of 507.52 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 153393487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).